@STRING{acr = "Acc.~Chem.~Res."}
@STRING{rmp = "Rev.~Mod.~Phys."}
@STRING{ajc = "Austr.~J.~Chem."}
@STRING{ijqcqcs = "Int.~J.~Quantum Chem.:Quantum Chem.~Symp."}
@STRING{jcsdt = "J.~Chem.~Soc., Dalton Trans."}
@STRING{znb = "Z.~Naturforsch.\ {\bf B}"}
@STRING{zna = "Z.~Naturforsch.\ {\bf A}"}
@STRING{jrs = "J.~Raman Spectrosc."}
@STRING{aciee = "Angew.~Chem.~Int.~Ed.~Engl."}
@STRING{cmr = "Conc.~Magn.~Reson."}
@STRING{hca = "Helv.~Chim.~Acta"}
@STRING{ic = "Inorg.~Chem."}
@STRING{cpc = "Comp.~Phys.~Commun."}
@STRING{jpc = "J.~Phys.~Chem."}
@STRING{jpca = "J.~Phys.~Chem.~{\bf A}"}
@STRING{jpcb = "J.~Phys.~Chem.~{\bf B}"}
@STRING{jacs = "J.~Am.~Chem.~Soc."}
@STRING{jcp = "J.~Chem.~Phys."}
@STRING{cpl = "Chem.~Phys.~Lett."}
@STRING{ijqc = "Int.~J.~Quantum Chem."}
@STRING{jcc = "J.~Comput.~Chem."}
@STRING{tca = "Theor.~Chim.~Acta"}
@STRING{tcan = "Theor.~Chem.~Acc."}
@STRING{jmr = "J.~Magn.~Reson."}
@STRING{jmra = "J.~Magn.~Reson.~{\bf A}"}
@STRING{jpcrd = "J.~Phys.~Chem.~Ref.~Data"}
@STRING{eic = "Education in Chemistry"}
@STRING{jcspt2 = "J.~Chem.~Soc., Perkin Trans.\ 2"}
@STRING{sa = "Spectrochim.~Acta {\bf A}"}
@STRING{jpbamp = "J.~Phys.\ B: At.~Mol.~Phys."}
@STRING{jpamg = "J.~Phys.\ A: Math.~Gen."}
@STRING{mp = "Mol.~Phys."}
@STRING{mric = "Magn.~Reson.~Chem."}
@STRING{gci = "Gazzetta Chim.~Ital."}
@STRING{cp = "Chem.~Phys."}
@STRING{pm = "Phil.~Mag."}
@STRING{jcics = "J.~Chem.~Inf.~Comput.~Sci."}
@STRING{cr = "Chem.~Rev."}
@STRING{csr = "Chem.~Soc.~Rev"}
@STRING{jms = "J.~Mol.~Struct."}
@STRING{cjc = "Can.~J.~Chem."}
@STRING{jmc = "J.~Math.~Chem."}
@STRING{pr = "Phys.~Rev."}
@STRING{prl = "Phys.~Rev.~Lett."}
@STRING{pra = "Phys.~Rev. {\bf A}"}
@STRING{prb = "Phys.~Rev. {\bf B}"}
@STRING{pre = "Phys.~Rev. {\bf E}"}
@STRING{jpoc = "J.~Phys.~Org.~Chem."}
@STRING{jcsft = "J.~Chem.~Soc.\ Faraday Trans."}
@STRING{acs = "Acta Chem.~Scand."}
@STRING{csj = "Chem.~Soc.~Jpn."}
@STRING{bcsj = "Bull.~Chem.~Soc.~Jpn."}
@STRING{jcscc = "J.~Chem.~Soc., Chem.~Commun."}
@STRING{jce = "J.~Chem.~Educ."}
@STRING{mpla = "Mod.~Phys.~Lett.\ {\bf A}"}
@STRING{ajp = "Am.~J.~Phys."}
@STRING{cb = "Chem.~Ber."}
@STRING{tfs = "Trans.~Faraday Soc."}
@STRING{cej = "Chem.Eur.J."}

%A-bokstav

@Article{yaacskpsrijqc70,
  author = 	 {Y.~Anusooya and A.~Chakrabarti and S.~K.~Pati and
                  S.~Ramasesha}, 
  journal = 	 ijqc,
  year = 	 {1998},
  key = 	 {Ring Currents in Condensed Ring Systems},
  volume = 	 {70},
  pages = 	 {503}
}

@Article{jrpajfjcscc1998,
  author = 	 {J.~R.~P.~Arnold and J.~Fisher},
  journal = 	 jcscc,
  year = 	 {1998},
  key = 	 {Observation of 18O solvent-induced isotope shifts in
                  19F NMR signals},
  pages = 	 {1859}
}

@Article{saglkkamjcp108,
  author = 	 {S.~Abbate and G.~Longhi and K.~Kwon and A.~Moscowitz},
  journal = 	 jcp,
  year = 	 {1998},
  key = 	 {The use of cross-correlation functions in the
                  analysis of circular dichroism spectra},
  volume = 	 {1998},
  pages = 	 {50}
}

@Article{pyahbsjcp107,
  author = 	 {P.~Y.~Ayala and H.~B.~Schlegel},
  journal = 	 jcp,
  year = 	 {1997},
  key = 	 {A combined method for determining reaction paths,
                  minima, and transition state geometries},
  volume = 	 {107},
  pages = 	 {375}
}

@Article{jdacedjpc95,
  author = 	 {J.~D.~Augspurger and C.~E.~Dykstra},
  journal = 	 jpc,
  year = 	 {1991},
  key = 	 {Electromagnetic Properties of Molecules from a
                  Uniform Procedure for Differentiation of Molecular
                  Wave Functions to High Order},
  volume = 	 {95},
  pages = 	 {9230}
}

@Article{cajlbmdjpca101,
  author = 	 {C.~Adant and J.~L.~Br\'{e}das and M.~Dupuis},
  key = 	 {An ab Initio and Semiempirical Study of the First-
                  and Third-Order Polarizabilities in Benzene and
                  Thiophene Derivatives: Electron Correlation Effects},
  journal = 	 {jpca},
  year = 	 {1997},
  volume = 	 {101},
  pages = 	 {3025}
}

@ARTICLE{pdasgkejcwgrjacs105,
        AUTHOR = {P.~D.~Aldrich and S.~G.~Kukolich and E.~J.~Campbell and
                  W.~G.~Read},
        KEY = {Magnetic Susceptibility Anisotropy, Molecular g Values,
                  and Other Molecular Properties of Cyclopropane As
                  Determined from Rotational Zeeman Studies of the
                  Cyclopropane-H35Cl and Cyclopropane-HC15N
                  Complexes},
        JOURNAL = jacs ,
        VOLUME = 105 ,
        YEAR = 1983 ,
        PAGES = 5569 }

@ARTICLE{gaaebsgesrhcjoc524,
	AUTHOR = {G.~A.~Aucar and E.~Botek and S.~G\'{o}mez and
	E.~Sproviero and R.~H.~Contreras},
	KEY = {RPA AM1 calculations of NMR spin-spin coupling
	constants: geminal 119Sn-119Sn couplings},
	JOURNAL = {J.~Organomet.~Chem.},
	VOLUME = 524 ,
	YEAR = 1996 ,
	PAGES = 1 }

@ARTICLE{tasicpl260,
	AUTHOR = {T.~Asada and S.~Iwata},
	KEY = {Hybrid procedure of ab initio molecular orbital
	calculation and Monte Carlo simulation for studying
	intracluster reactions: applications to Mg+(H2O)n (n=1-4)},
	JOURNAL = cpl ,
	VOLUME = 160 ,
	YEAR = 1996 ,
	PAGES = 1 }

@ARTICLE{idlatjmmarjpc100,
	AUTHOR = {I.~D.~L.~Albert and T.~J.~Marks and M.~A.~Ratner},
	KEY = {Rational Design of Molecules with Large
	Hyperpolarizabilities. Electric Field, Solvent Polarity, and
	Bond Length Alternation Effects of Merocyanine Dye Linear and
	Nonlinear Optical Properties},
	JOURNAL = jpc ,
	VOLUME = 100 ,	
	YEAR = 1996 ,
	PAGES = 9714 }

@ARTICLE{bkavrjkjbjcc17,
	AUTHOR = {B.~K.~Alsberg and V.~R.~Jensen and K.~J.~B{\o}rve},
	KEY = {Use of Multivariate Methods in the Analysis of
	Calculated Reaction Pathways},
	JOURNAL = jcc ,
	VOLUME = 17 ,
	YEAR = 1996 ,
	PAGES = 1197 }
	
@ARTICLE{madjuechodcjacs118,
	AUTHOR = {M.~Arshadi and D.~Johnels and U.~Edlund and C.~-H.~Ottosson
	          and D.~Cremer},
	KEY = {Solvated Silylium Catriions: Structure Determination by
	       NMR Spectroscopy and the NMR/Ab Initio/IGLO Method},
	JOURNAL = jacs ,
	VOLUME = 118 ,
	YEAR = 1996 ,
	PAGES = 5120 }

@ARTICLE{jmajdcr91,
	AUTHOR = {J.-M.~Andr\'{e} and J.~Delhalle},
	KEY = {Quantum Chemistry and Molecular Engineering of
	       Oligomeric and Polymeric Materials for
	       Optoelectronics},
	JOURNAL = cr ,
	VOLUME = 91 ,
	YEAR = 1991 ,
	PAGES = 843 }

@ARTICLE{jdacedcpl238,
	AUTHOR = {J.~D.~Augspurger and C.~E.~Dykstra},
	KEY = {Electron ecitation effects on NMR shieldings in small
	       organic molecules},
	JOURNAL = cpl ,	
	VOLUME = 238 ,
	YEAR = 1995 ,
	PAGES = 199 }

@ARTICLE{klajbpcp193,
	AUTHOR = {K.~L.~Aminov and J.~{\mbox Boiden Pedersen}},
	KEY = {Improved finite difference calculation of magnetic
	       field effects; inclusion of analytical asymptotics},
	JOURNAL = cp ,
	VOLUME = 193 ,
	YEAR = 1995 ,
	PAGES = 297 }

@ARTICLE{yacgjmjcp101,
	AUTHOR = {Y.~Aray and C.~Gatti and J.~Murgich},
	KEY = {The electric field gradient at the N nuclei and the
	       topology the charge distribution in the protonation of
	       urea},
	JOURNAL = jcp ,
	VOLUME = 101 ,
	YEAR = 1994 ,
	PAGES = 9800 }

@ARTICLE{rmsaehchgmoscodvjms328,
	AUTHOR = {R.~M.~S.~Alvarez and E.~H.~Cutin and H.~-G.~Mack and
	          O.~Sala and C.~O.~{\mbox Della V\'{e}dova}},
	KEY = {Vibro-conformational syudy of F2S(O)NCN: FTIR,
	       pre-resonance Raman effect, force field and theoretical
	       calculations},
	JOURNAL = jms ,
	VOLUME = 328 ,
	YEAR = 1994 ,
	PAGES = 221 }

@ARTICLE{kaborpampowcpl230,
	AUTHOR = {K.~Andersson and B.~O.~Roos and {\mbox P.~-{\AA}
	          .~}Malmqvist and {\mbox P.-O}.~Widmark},
	KEY = {The Cr2 potential energy curve studied with
	       multiconfigurational second-order perturbation theory},
	JOURNAL = cpl ,
	VOLUME = 230 ,
	YEAR = 1994 ,
	PAGES = 391 }

@ARTICLE{idladpjomjcsft90,
	AUTHOR = {I.~D.~L.~Albert and D.~Pugh and J.~O.~Morley},
	KEY = {Further Studies on the Polarizabilities and
	       Hyperpolarizabilities of the Substituted Polyenes and
	       Polyphenyls},
	JOURNAL = jcsft ,
	VOLUME = 90 ,
	YEAR = 1994 ,
	PAGES = 2617 }

@ARTICLE{rdacpl87,
	AUTHOR = {R.~D.~Amos},
	KEY = {Electric and Magnetic Properties of CO, HF, and HCl,
	       and CH3F},
	JOURNAL = cpl ,
	VOLUME = 87 ,
	YEAR = 1982 ,
	PAGES = 23 }

@ARTICLE{ajadadkkkclwppkwzjacs116,
	AUTHOR = {A.~J.~{\mbox Arduengo III} and D.~A.~Dixon and K.~K.~Kumashiro and
	          C.~Lee and W.~P.~Power and K.~W.~Zilm},
	KEY = {Chemical Shielding Tensor of a Carbene},
	JOURNAL = jacs ,
	VOLUME = 116 ,
	YEAR = 1994 ,
	PAGES = 6361 }

@ARTICLE{lasdftpstplmmrzcrnpjscpl223,
	AUTHOR = {L.~Alagna and S.~Di Fonzo and T.~Properi and S.~Turchini
	          and P.~Lazzeretti and M.~Malagoli and R.~Zanasi and
	          C.~R.~Natoli and P.~J.~Stephens},
	KEY = {Random phase approximation calculations of K-edge
	       rotational strengths of chiral molecules: propylene
	       oxide},
	JOURNAL = cpl ,
	VOLUME = 223 ,
	YEAR = 1994 ,
	PAGES = 402 }

@ARTICLE{rjaejcwatjcspt2,
	AUTHOR = {R.~J.~Abraham and E.~J.~Chambers and W.~A.~Thomas},
	KEY = {Conformational Analysis. Part 22. An NMR and
	       Theoretical Investigation of the gauche Effect in
	       Fluoroethanols},
	JOURNAL = jcspt2 ,
	VOLUME = {},
	YEAR = 1994 ,
	PAGES = 949 }

@ARTICLE{balelmric32,
	AUTHOR = {B.~Adams and L.~E.~Lerner},
	KEY = {Effect of Stereochemistry on Hydroxyl Proton Chemical
	       Shifts and Coupling Constants in Carbohydrates},
	JOURNAL = mric ,
	VOLUME = 32 ,
	YEAR = 1994 ,
	PAGES = 225 }

@ARTICLE{efaajtmp81,
	AUTHOR = {E.~F.~Archibong and A.~J.~Thakkar},
	KEY = {Polarizabilities of aromatic six-membered rings: azines
	       and `inorganic benzenes'},
	JOURNAL = mp ,
	VOLUME = 81 ,
	YEAR = 1994 ,
	PAGES = 557 }

@ARTICLE{yaspdrmpla8,
	AUTHOR = {Y.~Aharonov and S.~Popescu and D.~Rohrlich},
	KEY = {Algebraic approach to the Born-Oppenheimer
	       approximation},
	JOURNAL = mpla ,
	VOLUME = 8 ,
	YEAR = 1993 ,
	PAGES = 3691 }

@ARTICLE{jdacedjacs115,
	AUTHOR = {J.~D.~Augspurger and C.~E.~Dykstra},
	KEY = {Correlation of Fluorine-19 Chemical Shielding and
	       Chemical Shift Nonequivalence},
	JOURNAL = jacs ,
	VOLUME = 115 ,
	YEAR = 1994 ,
	PAGES = 12016 }

@ARTICLE{jcajpamg26,
	AUTHOR = {J.~C.~Angulo},
	KEY = {Uncertainty relationships in many-body systems},
	JOURNAL = jpamg ,
	VOLUME = 26 ,
	YEAR = 1993 ,
	PAGES = 6493 }

@ARTICLE{pbajsjacs114,
 	AUTHOR = {P.~B.~Armetrout and J.~Simons},
	KEY = {Understanding Heterolytic Bond Cleavage},
	JOURNAL = jacs ,
	YEAR = {1992},
	VOLUME = {114},
	PAGES = {8627} }
%Abstract: When considering the fragmentation of a single bond, the attractive
%singlet and repulsive triplet potential energy curves of the prototype H2 -> 
%2H dissociation often come to mind. For species in which homolytic bond 
%cleavage is energetically favord, such comparisons are reasonable. For other 
%species where heterolytic cleavage gives lower-energy products, the H2
%analogy is inappropriate. This paper offers a qualitative theoretical 
%treatment of the singlet and triplet potential energy curves that arise when a
%single bond formed by an electron pair is cleaved either homolytically or 
%heterolytically. This analysis is shown to provide insight into several
%problems involving transition metal systems: transition metal carbonyls, metal
%ion-ligand complexes, and transition metal dimers.

@ARTICLE{raprtjcp78,
	AUTHOR = {R.~Ahlrichs and P.~R.~Taylor},
	KEY = {The Choice of Gaussian basis sets for Molecular Electronic
	         Structure calculations},
	JOURNAL ={Journal de chimie physique},
	YEAR = {1981},
	VOLUME = {78},
	PAGES = {315} }
%Abstract: The choice of Gaussian basis sets for electronic structure 
%calculations of molecules is discussed in detail for treatments on the SCF and
%CI level. This article is organized in the following sections: I. 
%Introduction, II. Mathematical foundation of the LCAO-MO method, III. Basis 
%sets of first and second row atoms in SCF calculations, IV. Transition metals,
%V. Beyond-Hartree-Fock calculations, VI.Summary.
%Detailed proposals are made for the choice of basis sets at various levels of
%computational expense.

@ARTICLE{gaajoijqc47,
        AUTHOR = {G.~A.~Aucar and J.~Oddershede},
        KEY = {Relativistic Theory for Indirect Nuclear Spin-Spin
                 Couplings within the Polarization Propagator Approach},
        JOURNAL = ijqc ,
        YEAR = {1993},
        VOLUME = {47},
        PAGES = {425} }
%Abstract: We present a relativistic theory for the nuclear spin-spin coupling
%tensor within the polarization propagator approach using the particle-hole
%Dirac-Coulomb-Breit Hamiltonian and the full four-component wave function. We 
%give explicit expressions for the coupling tensor in the random-phase 
%approximation, neglecting the Breit interaction. A purely relativistic
%perturbative electron-nuclear Hamiltonian is used and it is shown how the 
%single relativistic contribution to the coupling tensor reduces to Ramsey's
%three second-order terms (Fermi contact, spin-dipole, and paramagnetic
%spin-orbit) in the non-relativistic limit. The principal propagator becomes
%complex and the leading property integrals mix atomic orbitals of different
%parity. The well-known propagator expressions for the coupling tensor in the 
%non-relativistic limit is obtained neglecting terms of the order c**(-n)(n>=1)

@ARTICLE{jdaacdeocedcpl213,
        AUTHOR = {J.~D.~Augspurger and A.~C.~{\mbox de Dios} and E.~Oldfield and C.~E.~Dykstra},
        KEY = {Computing nuclear magnetic resonance chemical shielding in
                 large systems via multipole shielding polarizabileties},
        JOURNAL = cpl ,
        YEAR = {1993},
        VOLUME = {213},
        PAGES = {211} }
%Abstract: Whereas ab intio methods are feasible for computational evaluation
%of chemical shielding parameters in small molecules or molecular fragments, a
%simple method is demonstrated for the evaluation of the relative effects of 
%shielding due to electrostatic interactions, such as those which may arise 
%from both inter- and intra-residue interactions in proteins and other 
%biomolecules. The shielding of a small molecule or molecular fragment is
%expanded in a multipole power series, and the terms of the series may be 
%evaluated by contemporary ab intio methods. The convergence behaviour of this
%expansion using fluorobenzene is shown as a prototypical molecule, and we
%conclude taht the first three multipole polarizability terms are important,
%but that hyperpolarizability shielding corrections are negligible

@ARTICLE{eraessjacs115,
        AUTHOR = {E.~R.~Arndt and E.~S.~Stevens},
        KEY = {Vacuum Ultraviolet Circular Dichroism Studies of Simple
                 Saccharides},
        JOURNAL = jacs ,
        YEAR = {1993},
        VOLUME = {115},
        PAGES = {7849} }
%Abstract: The circular dichroism (CD) of simple sugars was extended to 140 nm 
%using film samples. The 150-190 nm region can be decomposed into four 
%components. The signs of these four components are strictly correlated with
%anomeric configuration. Dominant contributions to CD arise from electronic 
%transitions localized on the oxygen atoms of the ether cromophores. The CD 
%below 150 nm represents the onset of the lowest energy sigma-sigma* 
%transition, the sign of which is also correlated with anomeric configuration.
%By extrapolation, its center is estimated to be at approximately 120-130 nm.
%The CD spectra of representative disaccharides contain a 
%conformation-dependent contribution, indicating the usefulness of CD as a
%conformational probe. The results reported here provide a basis for developing
%improved interpritive models.

@ARTICLE{jacsraejpc97,
          AUTHOR = {J.~Andzelm and C.~Sosa and R.~A.~Eades},
          KEY = {Theoretical Study of Chemical Reactions Using Density 
                   Functional Methods with Nonlocal Corrections},
          JOURNAL = jpc ,
          YEAR = {1993},
          VOLUME = {97},
          PAGES = {4664} }
%Abstract: Density functional calculations have been performed for the C-H bond
%dissociation of methane, N2 dissociation, the C-H bond dissociation of 
%acetylene, ethylene, and vinyl radical, the rotational barrier of acreolin, 
%and the relative energy for isomers and transition structures of diazene. It
%is found that the nonlocal spin density (NLSD) approach brings significant
%improvements over the local spin density (LSD) energetics. In most of these
%systems, the accuracy of density functional methods is comparable to the best
%available correlated wave function based on ab intio results.

%B-bokstav

@Article{rapddrebmbfccgjcp110,
  author = 	 {R.~Antoine and {\mbox Ph}.~Dugourd and D.~Rayane and
                  E.~Benichou and M.~Broyer and F.~Chandezon and C.~Guet},
  journal = 	 jcp,
  year = 	 {1999},
  key = 	 {Direct measurement of the electric polarizability of
                  isolated C60 molecules},
  volume = 	 {110},
  pages = 	 {9771}
}

@Article{abkbjljcp113,
  author = 	 {A.~Ballard and K.~Bonin and J.~Louderback},
  journal = 	 jcp,
  year = 	 {2000},
  key = 	 {Absolute measurement of the optical polarizability
                  of C60},
  volume = 	 {113},
  pages = 	 {5732}
}

@Article{bbszrsfcpbbgbbhicassjacs120,
  author = 	 {B.~Bose and S.~Zhao and R.~Stenutz and F.~Cloran and
                  P.~B.~Bondo and G.~Bondo and B.~Hertz and
                  I.~Carmichael and A.~S.~Serianni},
  journal = 	 jacs,
  year = 	 {1998},
  key = 	 {Three-Bond C-O-C-C Spin-Coupling Constants in
                  Carbohydrates: Development of a Karplus Relationship},
  volume = 	 {120},
  pages = 	 {11158}
}

@Article{vbpsjsjpcb102,
  author = 	 {V.~Buch and P.~Sandler and J.~Sadlej},
  journal = 	 jpcb,
  year = 	 {1998},
  key = 	 {Simulations of H2O Solid, Liquid, and Clusters, with
                  and Emphasis on Ferroelectric Ordering Transition in
                  Hexagonal Ice},
  volume = 	 {102},
  pages = 	 {8641}
}

@Article{dmbjmlbkjcp108,
  author = 	 {D.~M.~Bishop and J.~M.~Luis and B.~Kirtman},
  journal = 	 jcp,
  year = 	 {1998},
  key = 	 {Additional compact formulas for vibrational dynamic
                  dipole polarizabilities and hyperpolarizabilities},
  volume = 	 {108},
  pages = 	 {10013}
}

@Article{erbssxhjjcp109,
  author = 	 {E.~R.~Batista and S.~S.~Xantheas and H.~J\'{o}nsson},
  journal = 	 jcp,
  year = 	 {1998},
  key = 	 {Molecular multipole moments of water molecules in
                  ice Ih},
  volume = 	 {109},
  pages = 	 {4546}
}

@Article{bmbgwrewjpca102,
  author = 	 {G.~M.~Bernard and G.~Wu and R.~E.~Wasylishen},
  journal = 	 jpca,
  year = 	 {1998},
  key = 	 {An Experimental and Theoretical Investigation of the
                  Olefinic Carbon Chemical Shift Tensors in
                  trans-Stilbene and Pt(eta^2-trans-stilbene)(PPh3)2},
  volume = 	 {102},
  pages = 	 {3184}
}

@Article{jblscpra57,
  author = 	 {J.~Brand and L.~S.~Cederbaum},
  journal = 	 pra,
  year = 	 {1998},
  key = 	 {First-order static excitation potential: Scheme for
                  excitation energies and transitions moments},
  volume = 	 {57},
  pages = 	 {4311}
}

@Article{mbntcej4,
  author = 	 {M.~Baumgarten and N.~Tyutyulkov},
  journal = 	 cej,
  year = 	 {1998},
  key = 	 {Nonclassical Conducting Polymers: New Approaches to
                  Organic Metals},
  volume = 	 {4},
  pages = 	 {987}
}

@Article{mbaehmp92,
  author = 	 {M.~Bilde and Aa.~E.~Hansen},
  journal = 	 mp,
  year = 	 {1997},
  key = 	 {Ab initio study of the Pauling-London-Pople
                  (ring-current) effect: LORG calculation and analysis
                  of the NMR shielding tensors in a Sondheimer
                  aromatic annulene and a non-aromatic analogue},
  volume = 	 {92},
  pages = 	 {237}
}

@Article{dmbjpjcp98,
  author = 	 {D.~M.~Bishop and J.~Pipin},
  journal = 	 jcp,
  year = 	 {1993},
  key = 	 {Vibrational effects for the dispersion-energy and
                  dispersion-polarizability coefficients for
                  interactions between H, He, and H2},
  volume = 	 {98},
  pages = 	 {522}
}

@Article{pbcpl288,
  author = 	 {P.~Bour\v{r}},
  journal = 	 cpl,
  year = 	 {1998},
  key = 	 {Calculation of the Raman optical activity via the
                  sum-over-states expansion},
  volume = 	 {288},
  pages = 	 {363}
}

@Article{rjbbsccjms188,
  author = 	 {R.~J.~Butcher and B.~Saubam\'{e}a and {\mbox
                  Ch.}~Chardonnet}, 
  journal = 	 {J.~Mol.~Spectrosc.},
  year = 	 {1998},
  key = 	 {Carbond Dioxide Laser Saturation Spectroscopy and
                  the Hyperfine Structure of Monosubstituted Ozone
                  16O16O17O and 16O17O16O},
  volume = 	 {188},
  pages = 	 {142}
}

@Article{mbcej4,
  author = 	 {M.~B\"{u}hl},
  journal = 	 cej,
  year = 	 {1998},
  key = 	 {The Relation Between Endohedral Chemical Shifts and
                  Local Aromaticities in Fullerenes},
  volume = 	 {4},
  pages = 	 {734}
}

@Article{jbtca99,
  author = 	 {J.~Bertr\'{a}n},
  journal = 	 tcan,
  year = 	 {1998},
  key = 	 {Some fundamental questions in chemical reactivity},
  volume = 	 {99},
  pages = 	 {143}
}

@Article{rbbjksjcp108,
  author = 	 {R.~Bukowski and B.~Jeziorski and K.~Szalewicz},
  journal = 	 jcp,
  year = 	 {1998},
  key = 	 {Analytic irst-order properties from explicitely
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@ARTICLE{vblocajpc98,
	AUTHOR = {V.~Barone and L.~Orlandi and C.~Adamo},
	KEY = {Density Functional Study of Diborane, Dialane and
	       Digallane},
	JOURNAL = jpc ,
	VOLUME = 98 ,
	YEAR = 1994 ,
	PAGES = 13185 }

@ARTICLE{hbavhbgtca3,
	AUTHOR = {H.~Basch and A.~Viste and H.~B.~Gray},
	KEY = {Valence Orbital Ionization Potentials from Atomic
	       Spectral Data},
	JOURNAL = tca ,
	VOLUME = 3 ,
	YEAR = 1965 ,
	PAGES = 458 }

@ARTICLE{sbjcp17,
	AUTHOR = {S.~Broersma},
	KEY = {The Magnetic Susceptibility of Organic Compounds},
	JOURNAL = jcp ,
	VOLUME = 17 ,
	YEAR = 1948 ,
	PAGES = 873 }
	
@ARTICLE{mbtsprsrbaciee30,
	AUTHOR = {M.~B\"{u}hl and T.~Steinke and P.~v.~R.~Schleyer
                  and R.~Boese}, 
	KEY = {Solvation Effects on Geometry and Chemical Shifts. An
	       Ab Initio/IGLO Reconciliation of Apparent Experimental
	       Inconsistencies on H2BNH3},
	JOURNAL = aciee ,
	VOLUME = 30 ,
	YEAR = 1991 ,
	PAGES = 1160 }

@ARTICLE{jabs266,
	AUTHOR = {J.~A.~Berson},
	KEY = {Diradicals: Conceptual, Inferential, and Direct Methods
	       for the Study of Chemical Reactions},
	JOURNAL = {Science},
	VOLUME = 266 ,
	YEAR = 1994 ,
	PAGES = 1338 }

@ARTICLE{vmbcjncpc84,
	AUTHOR = {V.~M.~Burke and C.~J.~Noble},
	KEY = {Recent developments in R-matrix programs for
	       electron-atom scattering},
	JOURNAL = cpc ,
	VOLUME = 84 ,
	YEAR = 1994 ,
	PAGES = 19 }
%Spesialutgave i hylla

@ARTICLE{kkbmsgrsdgtjpc93,
	AUTHOR = {K.~K.~Baldridge and M.~S.~Gordon and R.~Steckler and
	          D.~G.~Truhlar},
	KEY = {Ab initio Reaction Paths and Direct Dynamics
	       Calculations},
	JOURNAL = jpc ,
	VOLUME = 93 ,
	YEAR = 1989 ,
	PAGES = 5107 }

@article{adbacp12,
	AUTHOR = {A.~D.~Buckingham},
	PAGES = 107 ,
	KEY = {Permanent and Induced Molecular Moments and Long-Range
	       Intermolecular Forces},
	YEAR = 1967 ,
	JOURNAL = {Adv.~Chem.~Phys.},
	VOLUME = 12 }

@ARTICLE{obvsrkpjcpl228,
	AUTHOR = {O.~Bludsk\'{y} and V.~\u{S}pirko and R.~Kobayashi and
	          P.~J{\o}rgensen},
	KEY = {An ab initio quartic force field and the fundamental
	       frequencies of o-benzyne},
	JOURNAL = cpl ,
	VOLUME = 228 ,
	YEAR = 1994 ,
	PAGES = 568 }

@ARTICLE{gwbrjcmric32},
	AUTHOR = {G.~W.~Buchanan and R.~J.~Crutcley},
	KEY = {15N NMR Chemical Shifts for Cyanamide, Phenylcyanamid
	       and a series of Phenyl-Substituted Derivatives},
	JOURNAL = mric ,
	VOLUME = 32 ,
	YEAR = 1994 ,
	PAGES = 552 }

@ARTICLE{rbahmpscb127,
	AUTHOR = {R.~Boese and A.~H.~Maulitz and P.~Stellberg},
	KEY = {Solid-State Borazine: Does it Deserve to be Entitled
	       "Inorganic Benzene"?}, 
	JOURNAL = cb ,
	VOLUME = 127 ,
	YEAR = 1994 ,
	PAGES = 1887 }

@ARTICLE{mpbrhmp41,
	AUTHOR = {M.~P.~Bogaard and R.~Haines},
	KEY = {Raman intensities and cartesian polarizability
	       derivatives},
	JOURNAL = mp ,
	VOLUME = 41 ,
	YEAR = 1980 ,
	PAGES = 1281 }

@ARTICLE{bmbsmcjcp101,
	AUTHOR = {D.~M.~Bishop and S.~M.~Cybulski},
	KEY = {Vibrational corrections for some electric and magnetic
	       properties of H2, N2, HF, and CO},
	JOURNAL = jcp ,
	VOLUME = 101 ,
	YEAR = 1994 ,
	PAGES = 2180 }

@ARTICLE{ldblhbsb1993,
	AUTHOR = {L.~D.~Barron and L.~Hecht},
	KEY = {Biomolecular conformational studies with vibrational
	       Raman optical activity},
	PAGES = 235 ,
	PUBLISHER = {John  Wiley \& Sons Ltd.},
	YEAR = 1993 ,
	journal = {Biomolecular Spectroscopy, Part {\bf B}} }

@ARTICLE{ldbarglhplpsa48,
	AUTHOR = {L.~D.~Barron and A.~R.~Gargaro and L.~Hecht and
	          P.~L.~Polavarapu},
	KEY = {Vibrational Raman optical activity of alanine as a
	       function of pH},
	JOURNAL = sa ,
	VOLUME = 48 ,
	YEAR = 1992 ,
	PAGES = 261 }

@ARTICLE{ldbarglhplphssa48,
	AUTHOR = {L.~D.~Barron and A.~R.~Gargaro and L.~Hecht and
	          P.~L.~Polavarapu and H.~Sugeta},
	KEY = {Experimental and ab initio theoretical vibrational
	       Raman optical activity of tartaric acid},
	JOURNAL = sa ,
	VOLUME = 48 ,
	YEAR = 1992 ,
	PAGES = 1051 }

@ARTICLE{ldbarglhplpsa47,
	AUTHOR = {L.~D.~Barron and A.~R.~Gargaro and L.~Hecht and
	          P.~L.~Polavarapu},
	KEY = {Experimental and ab initio theoretical vibrational
	       Raman optical activity of alanine},
	JOURNAL = sa ,
	VOLUME = 47 ,
	YEAR = 1991 ,
	PAGES = 1001 }

@ARTICLE{pkbplpldblhjpc94,
	AUTHOR = {P.~K.~Bose and P.~L.~Polavarapu and L.~D.~Barron and
	          L.~Hecht},
	KEY = {Ab Initio and Experimental Raman Optical Activity in
	       (+)-(R)-Methyloxirane},
	JOURNAL = jcp ,
	VOLUME = 94 ,
	YEAR = 1990 ,
	PAGES = 1734 }

@ARTICLE{dwbjce71,
	AUTHOR = {D.~W.~Ball},
	KEY = {Electronic Absorption of C60: A Quantum-Mechanical
	       Model},
	JOURNAL = jce ,
	VOLUME = 71 ,
	YEAR = 1994 ,
	PAGES = 463 }

@ARTICLE{abpofpkhgmcjhmp82,
	AUTHOR = {A.~Breest and P.~Ochmann and F.~Pulm and
	          K.~H.~G\"{o}dderz and M.~Carnell and J.~Hormes},
	KEY = {Experimental circular dichroism and VUV spectra of
	       substituted oxiranes and thiiranes},
	JOURNAL = mp ,
	VOLUME = 82 ,
	YEAR = 1994 ,
	PAGES = 539 }

@ARTICLE{mbwthjprsmsfalajacs116,
	AUTHOR = {M.~B\"{u}hl and W.~Thiel and H.~Jiao and
                  P.~v.~R.~Schleyer and M.~Saunders and
                  F.~A.~L.~Anet}, 
	KEY = {Helium and Lithium Chemical Shifts of Endohedral
	       Fullerene Compounds: An Ab Initio Study},
	JOURNAL = jacs ,
	VOLUME = 116 ,
	YEAR = 1994 ,
	PAGES = 6005 }

@ARTICLE{afblhldbjacs116,
	AUTHOR = {A.~F.~Bell and L.~Hecht and L.~D.~Barron},
	KEY = {Disaccharide Solution Stereochemistry from Vibrational
	       Raman Optical Activity},
	JOURNAL = jacs ,
	VOLUME = 116 ,
	YEAR = 1994 ,
	PAGES = 5155 }

@ARTICLE{dmbsmcmp80,
	AUTHOR = {D.~M.~Bishop and S.~M.~Cybulski},
	KEY = {Calculation of magnetic properties III. Nuclear
	       shielding constants and shielding polarizabilities for
	       H2, N2, HF and CO},
	JOURNAL = mp ,
	VOLUME = 80 ,
	YEAR = 1993 ,
	PAGES = 199 }

@ARTICLE{wbjjwklsgawjcspt2,
	AUTHOR = {W.~Bocian and J.~Ja\'{z}wi\'{n}ski and
	          W.~Ko\'{z}mi\'{n}ski and L.~Stefaniak and G.~A.~Webb},
	KEY = {A Multinuclear NMR Study of Some Mesoionic
	       1,3-Dimethyltetrazoles, 1- and 2-Methyltetrazoles and
	       Related Compounds},
	JOURNAL = jcspt2 ,
	VOLUME = {},
	YEAR = 1994 ,
	PAGES = 1327 }

@ARTICLE{obvmdhszna49,
	AUTHOR = {O.~B\"{o}ttcher and V.~Meyer and D.~H.~Sutter},
	KEY = {On the Validity of Additivity Rules for the Molecular
	       Magnetizability Tensor and the Molecular g-Tensor in
	       van der Waals Complexes. A Rotational Zeeman Effect
	       Study of 1,1-Dideutero-Cyclopropane},
	JOURNAL = zna ,
	VOLUME = 49 ,
	YEAR = 1994 ,
	PAGES = 585 }

@ARTICLE{dmbsmcjpjcp94,
	AUTHOR = {D.~M.~Bishop and S.~M.~Cybulski and J.~Pipin},
	KEY = {Hypermagnetizability anisotropy (Cotton-Mouton effect)
	       for H2 and D2},
	JOURNAL = jcp ,
	VOLUME = 94 ,
	YEAR = 1991 ,
	PAGES = 6686 }

@ARTICLE{dmbaqc25,
	AUTHOR = {D.~M.~Bishop},
	KEY = {Aspects of non-linear-optical calculations},
	YEAR = 1994 ,
	JOURNAL = {Adv.~Quantum Chem.},
	VOLUME = 25 ,
	PAGES = 1 }

@ARTICLE{dmbsmcjcp100,
	AUTHOR = {D.~M.~Bishop and S.~M.~Cybulski},
	KEY = {Calculation of the electric field gradients,
	       generalized Sternheimer shielding constants, and
	       electric-field-gradient polarizabilities for ten small
	       molecules},
	JOURNAL = jcp ,
	VOLUME = 100 ,
	YEAR = 1994 ,
	PAGES = 6628 }

@ARTICLE{wbjjwklsgawmric32,
	AUTHOR = {W.~Bocian and J.~Ja\'{z}wi\'{n}ski and
	          W.~Ko\'{z}mi\'{n}ski and L.~Stefaniak and G.~A.~Webb},
	KEY = {Multinuclear Magnetic Resonance Study of Some Mesoionic
	       1,3-Diphenyltetrazoles with Various Exoxyxlic Groups},
	JOURNAL = mric ,
	VOLUME = 32 ,
	YEAR = 1994 ,
	PAGES = 284 }
	
@ARTICLE{rfwbplaptakaciee33,
	AUTHOR = {R.~F.~W.~Bader and P.~L.~A.~Popelier and T.~A.~Keith},
	KEY = {Theoretical Definition of a Functional Group and the
	       Molecular Orbital Paradigm},
	JOURNAL = aciee ,
	VOLUME = 33 ,
	YEAR = 1994 ,
	PAGES = 620 }

@ARTICLE{jbasjacpl216,
	AUTHOR = {J.~Baker and A.~Scheiner and J.~Andzelm},
	KEY = {Spin contamination in density functional theory},
	JOURNAL = cpl ,
	VOLUME = 216 ,
	YEAR = 1993 ,
	PAGES = 380 }

@ARTICLE{cwbhpjcp100,
	AUTHOR = {{C.~W.~Bauschlicher Jr.~} and H.~Partridge},
	KEY = {How large is the effect of 1s correlation on the De, we,
	       and re of N2?},
	JOURNAL = jcp ,
	VOLUME = 100 ,
	YEAR = 1994 ,
	PAGES = 4329 }

@ARTICLE{pjbcjgjmeamcpl219,
	AUTHOR = {P.~J.~Barrie and C.~J.~Groombridge and J.~Mason and
	          E.~A.~Moore}, 
	KEY = {Nitrogen-15 nuclear magnetic shielding tensors in
	       nitrite and nitrate ion. Experimental and theoretical
	       determinations},
	JOURNAL = cpl ,
	VOLUME = 219 ,
	YEAR = 1994 ,
	PAGES = 491 }

@ARTICLE{smbtheutvoms28,
	AUTHOR = {S.~M.~Br{\aa}ten and T.~Helgaker and E.~Uggerud and
	          T.~Vulpius},
	KEY = {Mechanism, Energetics, Kinetics and Dynamics of the
	       Reaction C2H6+ -> C2H4+ + H2},
	JOURNAL = {Org.~Mass Spectrom.},
	VOLUME = 28 ,
	YEAR = 1993 ,
	PAGES = 1262 }

@ARTICLE{jbgkhsrjsaa50,
	AUTHOR = {J.~Bardakji and G.~Kontaxis and H.~Sterk and
	          R.~Janoschek},
	KEY = {On the estimation of an unexpected large chemical shift
	       anisotropy},
	JOURNAL = sa ,
	VOLUME = 50 ,
	YEAR = 1994 ,
	PAGES = 735 }

@ARTICLE{dmbsmcjmra107,
	AUTHOR = {D.~M.~Bishop and S.~M.~Cybulski},
	KEY = {Ab initio calculation of the Nuclear Magnetic Shielding
	       Constants and Shielding Polarizabilities of the Noble
	       Gases}, 
	JOURNAL = jmra ,
	VOLUME = 107 ,
	YEAR = 1994 ,
	PAGES = 99 }

@ARTICLE{wbfhjcscc1992,
	AUTHOR = {W.~Bauer and F.~Hampel},
	KEY = {X-Ray Crystal Structure of a
	       Vinyllithium-Tetrahydrofuran Solvate (C2H3Li-thf)4.
	       Quantitative Estimation of Li-H Distances by 6Li-H
	       HOESY}, 
	JOURNAL = jcscc ,
	VOLUME = {} ,
	YEAR = 1992 ,	
	PAGES = 903 }

@ARTICLE{mbnjrvehpvrsufwkjacs113,
	AUTHOR = {M.~B\"{u}hl and N.~J.~R.~{\mbox van E}.~Hommes and
	          P.~v.~R.~Schleyer and U.~Fleischer and W.~Kutzelnigg},
	KEY = {Application and Evaluation of IGLO Chemical Shift
	       Calculations for Organolithium Compounds},
	JOURNAL = jacs ,
	VOLUME = 113 ,
	YEAR = 1991 ,
	PAGES = 2459 }

@ARTICLE{mbjgmhpvrsjacs115,
	AUTHOR = {M.~B\"{u}hl and J.~Gauss and M.~Hofmann and
                  P.~v.~R.~Schleyer}, 
	KEY = {Decisive Electron Correlation Effects on Computed 11B
	       and 13C NMR Chemical Shifts. Application of the
	       GIAO-MP2 Method to Boranes and Carbaboranes},
	JOURNAL = jacs ,
	VOLUME = 115 ,
	YEAR = 1993 ,
	PAGES = 12385 }

@ARTICLE{glbjce70,
	AUTHOR = {G.~L.~Bendazzoli},
	KEY = {The Variational Principle Illustrated by Simple
	       Examples},
	JOURNAL = jce ,
	VOLUME = 70 ,
	YEAR = 1993 ,
	PAGES = 912 }

@ARTICLE{wbcgjacs115,
	AUTHOR = {W.~Bauer and C.~Griesinger},
	KEY = {Vinyllithium: Dynamic Behaviour in Tetrahydrofuran Solution and
               Comprehensive Analysis of NMR Spin-Spin Coupling Constants},
	JOURNAL = jacs ,
	VOLUME = 115 ,
	YEAR = 1993 ,
	PAGES = 10871}

@ARTICLE{abmjkjcpl203,
	AUTHOR = {A.~Barszczewicz and M.~Jaszu\'{n}ski and K.~Jackowski},
	KEY = {Ab initio calculations of the oxygen atom NMR shielding in the
               carbonyl group},
	JOURNAL = cpl ,
	VOLUME = 203 ,
	YEAR = 1993 ,
	PAGES = 404 },

@ARTICLE{abmjlscpl186,
	AUTHOR = {A.~Barszczewicz and M.~Jaszu\'{n}ski and L.~Stefaniak},
	KEY = {Nitrogen NMR chemical shifts in mesoionic compounds: a 
               comparison of theory and experiment},
	JOURNAL = cpl ,
	VOLUME = 186 ,
	YEAR = 1991 ,
	PAGES = 313 }

@ARTICLE{rcbclnwhfpbjacs93,
	AUTHOR = {R.~C.~Benson and C.~L.~Norris and W.~H.~Flygare and P.~Beak},
	KEY = {A Classification of 2- and 4-Pyrone as Nonaromatic on the Basis
               of Molecular Magnetic Susceptibility Anisotropies},
	JOURNAL =  jacs ,
	VOLUME = 93 ,
	YEAR = 1971 ,
	PAGES = 5591 }

@ARTICLE{rcbwhfcpl4,
	AUTHOR = {R.~C.~Benson and W.~H.~Flygare},
	KEY = {The molecular Zeeman effect in propene and comparison of the
               magnetic susceptibility anisotropies with cyclopropene and other
               small ring compounds},
	JOURNAL = cpl ,
	VOLUME = 4 ,
	YEAR = 1969 ,
	PAGES = 141 }

@ARTICLE{rfwbtakjcp99,
	AUTHOR = {R.~F.~W.~Bader and T.~A.~Keith},
	KEY = {Properties of atoms in molecules: Magnetic susceptibilities},
	JOURNAL = jcp ,
	VOLUME = 99 ,
	YEAR = 1993 ,
	PAGES = 3683 }

@ARTICLE{pabaomtkrcp173,
	AUTHOR = {P.~A.~Braun and A.~O.~Mitrushenkov and T.~K.~Rebane},
	KEY = {Vibrational magnetism of highly symmetric molecules: the 
		 molecular ion (H3)+},
	JOURNAL =  cp ,
	YEAR = {1993},
	VOLUME = {173},
	PAGES = {71} }
%Abstract: A study is made of the magnetic moment of the vibrationally excited
%molecules of the symmetric top type in the states with a non-zero vibrational
%angular momentum. The formula is obtained for the electronic contribution to 
%the vibrational magnetic moment connected with the vibronic interactions in 
%the molecule. Calculations of the vibrational g-factor of the molecular ion
%H3+ are carried out in the SCF approximation.

@ARTICLE{dmbsmccpl200,
	AUTHOR = {D.~M.~Bishop and S.~M.~Cybulski},
	KEY = {Calculation of dynamic magnetic hyperpolarizability
	         anisotropies for He, Ne and Ar},
	JOURNAL = cpl ,
	YEAR = {1992},
	VOLUME = {200},
	PAGES = {153} }
%Abstract: We report values of the magnetic hyperpolarizability anisotropies
%(relevant to the Cotton-Mouton effect) for He, Ne and Ar. They were calculated
%by using a mixed analytic-numeric method at both the SCF and MP2 level of 
%approximation. Results pertaining to a static electric field and six optical 
%fields (corresponding to six common laser sources) are given. The calculation
%for Ar reoresents the first entirely ab intio evaluation of Delta n for this
%atom.

@ARTICLE{jwbrmp4,
	AUTHOR = {J.~W.~Beams},
	KEY = {Electric and magnetic double refraction},
	JOURNAL ={Rev.~Mod.~Phys.},
	YEAR = {1932},
	VOLUME = {4},
	PAGES = {133} }
%Chapters: 
% A. Introduction
% B. Electric Double Refraction
%(1) The Kerr electro-optical effect. The discovery of the effect by Kerr.
%    Nature and characteristics of the phenomenon. Kerr's law of variation with
%    electric field.
%(2) Experimental methods of measuring the Kerr constant B. Absolute methods.
%    Relative methods.
%(3) Theory of the Kerr elctro-optical effect. Theory of Havelock. Theory of
%    Langevin as revised by Born. Theory of Kronig and Born-Jordan adopting
%    viewpoint of new quantum mechanics.
%(4) The Kerr electro-optical effect in gases. Experimental data discussed.
%    Langevin-Born theory used to determine the Kerr constant B from other
%    measurable quantities. The relation of the Kerr electro-optical effect to
%    the optical and electrical properties of molecules. The variation of the
%    Kerr constant with wave-length of the light, temperature, and density of
%    the gas. Anomalous effect near absorption lines
%(5) The Kerr electro-optical effect in liquids. Experimental data discussed. 
%    Langevin-Born theory used to determine effective electrical and optical
%    properties of the molecules. Theory of Raman and Krishnan for dense 
%    liquids. The temperature variation of the Kerr constant B. The variation
%    of B with wave-length of the light. Absolute values of n_p and n_s.
%(6) The relaxation time of the Kerr electro-optical effect. Experimental data
%    and theory. Uses of the effect.
%(7) Miscellaneous. Electric double refraction in liquid mixtures. Electric 
%    double refraction of small particles in suspensions in liquids, colloids, 
%    etc.
%(8) The Kerr electro-optical effect in solids. Amorphous solids and crystals.
%C.  Magnetic Double Refraction
%(1) Cotton-Mouton effect. Discovery and nature of the phenomenon. Variation 
%    with magnetic field.
%(2) Experimental methods of study. Requires large uniform magnetic field and 
%    apparatus for separating feeble double refraction from rotation of plane
%    polarization.
%(3) Langevin-Born theory applied to diamagnetic liquids. Relation to 
%    Cotton-Mouton effect to magnetic properties of molecules.
%(4) Theory of Raman and Krishnan to dense liquids. Cotton-Mouton constant for
%    substances in solution. Relation of optical and magnetic anisotropies of
%    crystals to Cotton-Mouton effect of crystals dissolved in liquids. Use of
%    Cotton-Mouton effect in the determination of crystle structure.
%(5) Variation of Cotton-Mouton constant C with wave-length of light and 
%    temperature. Experimental data briefly compared with theory.
%(6) Magnetic double refraction in gases. Effect discovered by Voigt near
%    absorption lines. Explained by Voigt's theory. Experiments in paramagnetic
%    gases discussed.
%(7) Miscellaneous. Magnetic double refraction of substances in suspensions,
%    colloids, crystalline liquids, etc.
%(8) Magnetic double refraction in solids. Amorphous solids, crystals.

@ARTICLE{adbjappps69,
	AUTHOR = {A.~D.~Buckingham and J.~A.~Pople},
	KEY = {A theory of magnetic double refraction},
	JOURNAL ={Proc.~Phys.~Soc.~B},
	YEAR = {1956},
	VOLUME = {69},
	PAGES = {1133} }
%Abstract: A theory of the birefrigence produced in a substance perpendicular
%to a strong magnetic field (the Cotton-Mouton effect) is presented. Allowance
%is made for electrical anisotropy induced directly by the magnetic field, an
%effect which can occur even for isotropic molecules. The effect of molecular
%on measurments in dense gases and liquids is also considered.

@ARTICLE{tdbaehcpl197,
	AUTHOR = {T.~D.~Bouman and Aa.~E.~Hansen},
	KEY = {NMR shielding calculations including electron correlation: 
	    	 benzene, pyridine and the n-azines},
	JOURNAL = cpl ,
	YEAR = {1992},
	VOLUME = {197},
	PAGES = {59} }
%Abstract: Ab initio calculations using the second order correlated 
%localized orbital-localized origin method (SOLO) are presented for the nuclear
%shielding tensors of 15N and 13C nuclei in the series of 6-membered aromatic
%heterocycles from pyridine to s-tetrazine, and for 13C in benzene. Correlation
%effects increase the isotropic shieldings, for 15N by up to 50 ppm and for
%13C by up to 10 ppm, and lead to significantly improved agreement with 
%experiments relative to calculations at the Hartree-Fock (LORG) level for the
%strongly deshielded 15N nuclei in this series. For the principal-axis
%shieldings second-order correlation is found consistently to decrease the 
%anisotropy and the width of the shielding pattern.

@ARTICLE{obc31,
	AUTHOR = {O.~Busmundrud},
	KEY = {Vapour breakthrough in activated carbon beds},
	JOURNAL ={Carbon},
	YEAR = {1993},
	VOLUME = {31},
	PAGES = {279} }
%Abstract: Detailed measurements of vapour breakthrough in activated carbon 
%beds have been made for dimethyl-methylphosphonate (DMMP) and n-amylacetate.
%The measurements have been interpreted in terms of rate constant and 
%adsorption capacity. The breakthrough curve follows the theoretical 
%predictions at low concentrations, but deviates at high concentration. The 
%rate constant is found to be very dependent on air velocity and grain size of
%the carbon. In case of humid carbon and humid air, the rate constant decreases
%while the adsorption capacity is very little influenced by humidity.
%Keywords: Activated carbon, vapour breakthroughm DMMP, n-amylacetate, carbon
%filters.

@ARTICLE{adbjcp98,
	AUTHOR = {A.~B.~Becke},
	KEY = {A new mixing of Hartree-Fock and local density-functional
	     	 theories},
	JOURNAL = jcp ,
	YEAR = {1993},
	VOLUME = {98},
	PAGES = {1372} }
%Abstract: Previous attempt to combine Hartree-Fock theory with local density
%functional theory have been unsuccessful in applications to molecular bonding.
% We derive a new coupling of these two theories that maintains their 
%simplicity and computational efficiency, and yet greatly improves their 
%predictive power. Very encouraging results of tests on atomization energies,
%ionization potentials, and proton affinities are reported, and the potential
%for future development is discussed.

@ARTICLE{glbsejcp98,
	AUTHOR = {G.~L.~Bendazzoli and S.~Evangelisto},
	KEY = {A vector and parallel full configuration interaction 
		 algorithm},
	JOURNAL = jcp , 
	YEAR = {1993},
	VOLUME = {98},
	PAGES = {3141} }
%Abstract: A full configuration interaction (FCI) algorithm is presented and
%discussed. It is an integral driven formalism based on the explicit 
%construction of tables which realize the correspondence between the FCI vector
%x and the vector Hx, H being the Hamiltonian matrix of the system.

@ARTICLE{abmjkjcpl203,
	AUTHOR = {A.~Barszczewicz and M.~Jaszu{\'{n}}ski and K.~Jackowski},
	KEY = {Ab initio calculations fo the oxygen atom NMR shielding in the
		 carbonyl group},
	JOURNAL = cpl ,
	YEAR = {1993},
	VOLUME = {203},
	PAGES = {404} }
%keyword: GIAO, HF, correlation estimate, CO-containing molecules, O17

@ARTICLE{sfbrmp32,
	AUTHOR = {S.~F.~Boys},
	KEY = {Construction of some molecular orbitals to be approximately
		 invariant for changes from one molecule to another},
	JOURNAL ={Rev.~Mod.~Phys.},
	YEAR = {1960},
	VOLUME = {32},
	PAGES = {296} }
%keyword: localized orbitals

@ARTICLE{pbtakjacs9100,
	AUTHOR = {P.~Bour and T.~A.~Keiderling},
	KEY = {Computational evaluation of the coupled oscillator model in
		 the vibrational circular dichroism of selected small 
		 molecules},
	JOURNAL = jacs ,
	YEAR = {1992},
	VOLUME = {114},
	PAGES = {9100} }
%keyword VCD, MFP, H2CO, formaldehyd, cyclopropane, cyclobutane

@ARTICLE{bfbjmp19,
	AUTHOR = {B.~F.~Bayman},
	KEY = {A generalization of the spherical harmonic gradient formula},
	JOURNAL ={J.~Math.~Phys.},
	YEAR = {1978},
	VOLUME = {19},
	PAGES = {2558} }
%keyword: solid harmonic, gradient operator, multipole expansion, 
%	  angular momentum

@ARTICLE{rfwbpfzcpl191,
	AUTHOR = {R.~F.~W.~Bader and P.~F.~Zou},
	KEY = {An atomic population as the expectation value of a quantum
	 	 observable},
	JOURNAL = cpl ,
	YEAR = {1992},
	VOLUME = {191},
	PAGES = {54} }
%keyword: particle density, number operator

@ARTICLE{klbjstca82,
	AUTHOR = {K.~L.~Bak and J.~Simons},
	KEY = {Geometrical linear responses and directional energy 
		 derivatives for energetically degenerate MCSCF electronic
		 functions},
	JOURNAL = tca ,
	YEAR = {1992},
	VOLUME = {82},
	PAGES = {7} }
%keyword: MCSCF, geometrical response equations, adiabatic surfaces, 
%	  non-adiabatic couplings

@ARTICLE{acbfbcmfrocpl196,
	AUTHOR = {A.~C.~Borin and F.~B.~C.~Machado and F.~R.~Ornellas},
	KEY = {Nuclear motion dependence of the electric field gradient at
	       the 9Be nucleus in BeH+},
	JOURNAL = cpl ,
	YEAR = {1992},
	VOLUME = {196},
	PAGES = {417} }
%keyword: EFG, beryll, nuclear motion

@ARTICLE{klbpjhjajjothjcp97,
	AUTHOR = {K.~L.~Bak and P.~J{\o}rgensen and H.~J.~Aa.~Jensen and J.~Olsen and
                  T.~Helgaker},
	KEY = {First-order nonadiabatic coupling matrix elements from 
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	JOURNAL = jcp ,
	YEAR = {1992},
	VOLUME = {97},
	PAGES = {7573} }

@ARTICLE{klbjljcp92,
	AUTHOR = {K.~L.~Bak and J.~Linderberg},
	KEY = {Nonadiabatic ab initio calculations of eigenfunctions and
                 energies for the 3s,3d-triplet complex of molecular hydrogen},
	JOURNAL = jcp ,
	YEAR = {1990},
	VOLUME = {92},
	PAGES = {3668} }

@ARTICLE{sbhhmedmjerrajcc14,
	AUTHOR = {S.~Brode and H.~Horn and M.~Ehrig and D.~Moldrup and J.~E.~Rice
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	KEY = {Parallel Direct SCF and Gradient Program for Workstation
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	JOURNAL = jcc ,
	YEAR = {1993},
	VOLUME = {14},
	PAGES = {1142} }

@ARTICLE{rpbjhswwhfjcp51,
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	KEY = {Molecular g Values, Magnetic Susceptibility Anisotropies,
                 Molecular Quadropole Moments, and the Second Moment of the 
                 Electronic Charge Distribution in OCF2, CH2CF2, cis-CHFCHF,
                 and CH2F2},
	JOURNAL = jcp ,
	YEAR = {1969},
	VOLUME = {51},
	PAGES = {3196} }

@ARTICLE{obihf52,
	AUTHOR = {O.~Busmundrud},
	KEY = {Derivation of the Yoon-Nelson Equation for Breakthrough in
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	JOURNAL ={Ind.~Hyg.~Forum},
	YEAR = {1991},
	VOLUME = {52},
	PAGES = {216} }

@ARTICLE{abtzcpl203,
	AUTHOR = {A.~B\'{e},rces and T.~Ziegler},
	KEY = {The harmonic force field of benzene calculated by local
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	JOURNAL = cpl ,
	VOLUME = {203},
	YEAR = {1993},
	PAGES = {592} }

@ARTICLE{cjbdarh,
	AUTHOR = {C.~J.~Byrne and D.~A.~R.~Happer},
	KEY = {Coplanarity in 2,6-Dimethylazobenzenes: a 13C NMR Study},
	JOURNAL ={Aust.~J.~Chem.},
	VOLUME = {46},
	YEAR = {1993},
	PAGES = {887} }

@ARTICLE{mbjacs115,
	AUTHOR = {M.~Barfield},
	KEY = {Ab Initio IGLO MO Studies of the Conformational (Pucker Angle)
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	JOURNAL = jacs ,
	VOLUME = {115},
	YEAR = {1993},
	PAGES = {6916} }

@ARTICLE{dmbsmccpl211,
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	JOURNAL = cpl ,
	VOLUME = {211},
	YEAR = {1993},
	PAGES = {255} }

@ARTICLE{cwbhptca85,
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	JOURNAL = tca ,
	VOLUME = {85}, 
	YEAR = {1993},
	PAGES = {255} }

@ARTICLE{cbrgmdpsjpc64,
	AUTHOR = {C.~Barter and R.~G.~Meisenheimer and D.~P.~Stevenson},
	KEY = {Diamagnetic susceptibilities of simple hydrocarbons and 
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	JOURNAL = jpc ,
	VOLUME = {64},
	YEAR = {1960},
	PAGES = {1312} }

@ARTICLE{aabcspkmjmr86,
	AUTHOR = {A.~A.~Bothner-By and C.~Stluka and P.~K.~Mishra},
	KEY = {Magnetic Susceptibility Tensors of Alkanes},
	JOURNAL = jmr ,
	VOLUME = {86},
	YEAR = {1990},
	PAGES = {441} }

%C-bokstav

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@MISC{dczh,
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@ARTICLE{rncrmp68,
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@ARTICLE{dcpsekzkpajacs115,
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@ARTICLE{dclohojms313,
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	PAGES = 91 }

@ARTICLE{jcccscfaypjwgawjms365,
	AUTHOR = {J.~C.~C.~Chan and S.~C.~F.~{\mbox Au-Yeung} and P.~J.~Wilson
	and G.~A.~Webb},
	KEY = {SOS-DFPT-IGLO calculations of 59Co NMR shielding
	parameters of hexacoordinated diamagnetic Co(III) complexes},
	JOURNAL = {J.~Mol.~Struct.~(THEOCHEM)},
	VOLUME = 365 ,
	YEAR = 1996 ,
	PAGES = 125 }

@ARTICLE{jcidp10,
	AUTHOR = {J.~Cusick and I.~Dance},
	KEY = {The characterization of HSe- and Sex2- ions by 77Se
	NMR},
	JOURNAL = {Polyhedron},
	VOLUME = 10 ,
	YEAR = 1991 ,
	PAGES = 2629 }

@ARTICLE{macacp85,
	AUTHOR = {M.~A.~Collins},
	PAGES = 389 ,
	KEY = {The interface between electronic structure theory and
	reaction dynmaics by reaction path methods},
	YEAR = 1996 ,
	JOURNAL = {Adv.~Chem.~Phys.},
	VOLUME = 93 }

@ARTICLE{lackmsjcc17,
	AUTHOR = {L.~A.~Covick and K.~M.~Sando},
	KEY = {Portable, Parallel Transformation: Distributed-Memory
	       Approach},
	JOURNAL = jcc ,
	VOLUME = 17 ,
	YEAR = 1996 ,
	PAGES = 992 }

@ARTICLE{mccmbfjms364,
	AUTHOR = {M.~C.~Caputo and M.~B.~Ferraro},
	KEY = {Descritpion of the gauge invariance of molecular
	       magnetic properties of the SF6 molecule},
	JOURNAL = {J.~Mol.~Struct.~(THEOCHEM)},
	VOLUME = 364 ,
	YEAR = 1996 ,
	PAGES = 69 }

@ARTICLE{jrcgwttakmjfjcp104,
	AUTHOR = {J.~R.~Cheeseman and G.~W.~Trucks and T.~A.~Keith and
	          M.~J.~Frisch},
	KEY = {A comparison of models for calculating nuclear magnetic
	       resonance shielding tensors},
	JOURNAL = jcp ,
	VOLUME = 104 ,
	YEAR = 1996 ,
	PAGES = 5497 }

@ARTICLE{jrcmjffjdpjscpl252,
	AUTHOR = {J.~R.~Cheeseman and M.~J.~Frisch and F.~J.~Devlin and
	          P.~J.~Stephens},
	KEY = {Ab initio calculation of atomic axial tensors and
	       vibrational rotational strengths using density
	       functional theory},
	JOURNAL = cpl ,
	VOLUME = 252 ,
	YEAR = 1996 ,
	PAGES = 211 }

@ARTICLE{smcnchamlpra53,
	AUTHOR = {S.~M.~Colwell and N.~C.~Handy and A.~M.~Lee},
	KEY = {Determination of frequency-dependent polarizabilities
	       using current density-functional theory},
	JOURNAL = pra ,
	VOLUME = 53 ,
	YEAR = 1996 ,
	PAGES = 1316 }

@ARTICLE{smcdmbcpl250,
	AUTHOR = {S.~M.~Cybulski and D.~M.~Bishop},
	KEY = {Electron-correlated calculations of the
	       nuclear-shielding polarizability and magnetizability
	       polarizability of H2, N2, HF, and CO},
	JOURNAL = cpl ,	
	VOLUME = 250 ,
	YEAR = 1996 ,
	PAGES = 471 }

@ARTICLE{cjchlcjejpgjacs110,
	AUTHOR = {C.~J.~Carrell and H.~L.~Carrell and J.~Erlebacher and
	          J.~P.~Glusker},
	KEY = {Structural Aspects of Metal Ion-Carboxylate
	       Interactions},
	JOURNAL = jacs ,
	VOLUME = 110 ,
	YEAR = 1988 ,
	PAGES = 8651 }

@ARTICLE{ochkpjjcp103,
	AUTHOR = {O.~Christiansen and H.~Koch and P.~J{\o}rgensen},
	KEY = {Response functions in the CC3 iterative triple
	       excitation model},
	JOURNAL = jcp ,
	VOLUME = 103 ,
	YEAR = 1995 ,
	PAGES = 7429}

@ARTICLE{ochkpjcpl243,
	AUTHOR = {O.~Christiansen and H.~Koch and P.~J{\o}rgensen},
	KEY = {The second-order approximate coupled cluster singles
	       and doubles model CC2},
	JOURNAL = cpl ,
	VOLUME = 243 ,
	YEAR = 1995 ,
	PAGES = 409 }

@ARTICLE{mcesjacpl241,
	AUTHOR = {M.~Challacombe and E.~Schwegler and J.~Alml\"{o}f},
	KEY = {Recurrence relations for calculation of the Cartesian
	       multipole tensor},
	JOURNAL = cpl ,
	VOLUME = 241 ,
	YEAR = 1995 ,
	PAGES = 67 }

@ARTICLE{eackwhhmpjms352,
	AUTHOR = {E.~A.~Cohen and K.~W.~{\mbox Hillig II} and
	          H.~M.~Pickett},
	KEY = {The rotational spectra, hyperfine interactions, and 17O
	       magnetic shieldings of 17O16O16O, 16O17O16O, and
	       17OS16O},
	JOURNAL = jms ,
	VOLUME = {352/353},
	YEAR = 1995 ,
	PAGES = 273 }

@ARTICLE{scxhjrhdddjpc99,
	AUTHOR = {S.~Chen and X.~Hong and J.~R.~Hill and D.~D.~Dlott},
	KEY = {Ultrafast Energy Transfer in High Explosives:
	       Vibrational Cooling},
	JOURNAL = jpc ,
	VOLUME = 99 ,
	YEAR = 1995 ,
	PAGES = 4525 }

@ARTICLE{tcxgrwhmprvic34,
	AUTHOR = {T.~Chivers, X.~Gao, R.~W.~Hilts, M.~Parvez, and
	          R.~Vollmerhaus},
	KEY = {S,S'-Diorgano Derivatives of the 1,5-Ph4P2N4S2 Ring:
	          Lithium Halide Adducts, Conformational Isomerism,
	          and N-Methylation},
	JOURNAL = ic ,
	VOLUME = 34 ,
	YEAR = 1995 ,
	PAGES = 1180 }

@ARTICLE{dclofrekijc33,
	AUTHOR = {D.~Cremer and L.~Olsson and F.~Reichel and E.~Kraka},
	KEY = {Calculation of NMR Chemical Shifts - The Third
	Dimension of Quantum Chemistry},
	JOURNAL = {Isr.~J.~Chem.},
	VOLUME = 33 ,
	YEAR = 1993 ,
	PAGES = 369 }

@ARTICLE{dcmkjpc96,
	AUTHOR = {D.~Cremer and M.~Kr\"{u}ger},
	KEY = {Electric Field Gradients and Nuclear Quadrupole
	       Coupling Constants of Isonitriles Obtained from
	       M{\o}ller-Plesset and Quadratic Configuration
	       Interaction Calculations},
	JOURNAL = jpc ,
	VOLUME = 96 ,
	YEAR = 1992 ,
	PAGES = 3239 }

@ARTICLE{dbcarnmrs29,
	AUTHOR = {D.~B.~Chesnut},
	KEY = {Ab Initio Calculation of Chemical Shielding},
	PAGES = 71 ,
	YEAR = 1994 ,
	JOURNAL = {Ann.~Rep.~NMR Spectrosc.},
	VOLUME = 29 }

@ARTICLE{dbcberjmstc314,
	AUTHOR = {D.~B.~Chesnut and B.~E.~Rusiloski},
	KEY = {A study of NMR chemical shieldings in water clusters
	       derived from molecular dynamics simulations},
	JOURNAL = {J.~Mol.~Struct.~(THEOCHEM)},
	VOLUME = 314 ,
	YEAR = 1994 ,
	PAGES = 19 }

@ARTICLE{hcsjsbtscpc84,
	AUTHOR = {H.~Cox and S.~J.~Smith and B.~T.~Sutcliffe},
	KEY = {An application of the computer algebra system MAPLE for
	       calculations on atomic and molecular systems},
	JOURNAL = cpc ,
	VOLUME = 84 ,
	YEAR = 1994 ,
	PAGES = 186 }
%Spesialutgave i hylla

@ARTICLE{kocdadjcpsgjswwwic33,
	AUTHOR = {K.~O.~Christe and D.~A.~Dixon and J.~C.~P.~Sanders and
	          G.~J.~Schrobilgen and W.~W.~Wilson},
	KEY = {Hydrolysis and Methanolysis of PF4- and Nuclear
	       Magnetic Resonance and Vibrational Spectra of the POF2-
	       and HPO2F- Anions},
	JOURNAL = ic ,
	VOLUME = 33 ,
	YEAR = 1994 ,
	PAGES = 4911 }

@ARTICLE{rjcnbmjjic33,
	AUTHOR = {R.~J.~Cunningham and N.~Bian and M.~{\mbox Jones Jr.}},
	KEY = {Reaction of 1,2-Dehydro-o-carborane with Acetylenes.
	       Ene Reactions and Cycloaddition To Give an Analogue of
	       Benzocyclobutadiene},
	JOURNAL = ic ,
	VOLUME = 33 ,
	YEAR = 1994 ,
	PAGES = 4811 }

@ARTICLE{scplmmrztca89,
	AUTHOR = {S.~Coriani and P.~Lazzeretti and M.~Malagoli and
	          R.~Zanasi},
	KEY = {On CHF calculations of second-order magnetic properties
	       using the method of continuous transformations of
	       origin of the current density},
	JOURNAL = tca ,
	YEAR = 1994 ,	
	VOLUME = 89 ,
	PAGES = 181 }

@ARTICLE{dbcldqjacs116,
	AUTHOR = {D.~B.~Chesnut and L.~D.~Quin},
	KEY = {Chracterization of NMR Deshielding in Phosphole and the
	       Phospholide Ion},
	JOURNAL = jacs ,
	VOLUME = 116 ,
	YEAR = 1994 ,
	PAGES = 9638 }

@ARTICLE{gcdlwagjcp101,
	AUTHOR = {G.~Chen and D.~Lu and W.~A.~{\mbox Goddard III}},
	KEY = {Valence-bond charge-transfer solvation model for
	       nonlinear optical properties of organic molecules in
	       polar solvents},
	JOURNAL = jcp ,
	VOLUME = 101 ,
	YEAR = 1994 ,
	PAGES = 5860 }

@ARTICLE{jccpl227,
	AUTHOR = {J.~Cioslowski},
	KEY = {Endohedral magnetic shielding in fullerenes. A GIAO
	       CPHF study},
	JOURNAL = cpl ,
	VOLUME = 227 ,
	YEAR = 1994 ,
	PAGES = 361 }

@ARTICLE{sfccpl227,
	AUTHOR = {S.~F.~Chekmarev},
	KEY = {A simple gradient method for locating saddles},
	JOURNAL = cpl ,
	VOLUME = 227 ,
	YEAR = 1994 ,
	PAGES = 354 }

@ARTICLE{smcdmbjcp101,
	AUTHOR = {S.~M.~Cybulski and D.~M.~Bishop},
	KEY = {Calculations of magnetic properties. V.
	       Electron-correlated hypermagnetizabilities
	       (Cotton-Mouton effect) for H2, N2, HF, and CO},
	JOURNAL = jcp ,
	VOLUME = 101 ,
	YEAR = 1994 ,
	PAGES = 424 }

@ARTICLE{mccmbfplmmrzpra49,
	AUTHOR = {M.~C.~Caputo and M.~B.~Ferraro and P.~Lazzeretti and
	          M.~Malagoli and R.~Zanasi},
	KEY = {Theoretical study of the magnetic properties of a
	       methane molecule in a nonuniform magnetic field},
	JOURNAL = pra ,
	VOLUME = 49 ,
	YEAR = 1994 ,
	PAGES = 3445 }

@ARTICLE{mcsdpcpl183,
	AUTHOR = {M.~Carnell and S.~D.~Peyerimhoff},
	KEY = {Ab initio investigation of the circular dichroism
	       spectra of methylthiirane and
	       trans-2,3-dimethylthiirane},
	JOURNAL = cp ,
	VOLUME = 183 ,
	YEAR = 1994 ,
	PAGES = 37 }

@ARTICLE{cjcfjdjwssewcpl218,
	AUTHOR = {C.~J.~Cramer and F.~J.~Dulles and J.~W.~Storer and
	          S.~E.~Worthington},
	KEY = {Full valence complete active space SCF, multireference
	       CI, and density functional calculations of 1A1-3B1
	       singlet-triplet gaps for the valence-isoelectronic
	       series BH2-, CH2, NH2+, AlH2-, SiH2, PH2+, GaH2-, GeH2,
	       AsH2+},
	JOURNAL = cpl ,
	VOLUME = 218 ,
	YEAR = 1994 ,
	PAGES = 387 }

@ARTICLE{smcnchcpl217,
	AUTHOR = {S.~M.~Colwell and N.~C.~Handy},
	KEY = {The determination of magnetisabilities using density
	       functional theory},
	JOURNAL = cpl ,
	VOLUME = 217 ,
	YEAR = 1994 ,
	PAGES = 271 }

@ARTICLE{gcagggvhdmric32,
	AUTHOR = {G.~Cerioni and A.~G.~Giumanini and G.~Verardo and
		  H.~Dahn},
	KEY = {Oxygen-17 NMR Studies of N-Nitrosamines},
	JOURNAL = cmir ,
	VOLUME = 32 ,
	YEAR = 1994 ,
	PAGES = 46 }

@ARTICLE{mccmbfplmmrzjms305,
	AUTHOR = {M.~C.~Caputo and M.~B.~Ferraro and P.~Lazzeretti and
	          M.~Malagoli and R.~Zanasi},
	KEY = {Theoretical study of the magnetic properties of water
	       molecules in non-uniform magnetic fields},
	JOURNAL = jms ,
	VOLUME = 305 ,
	YEAR = 1994 ,
	PAGES = 89 }

@ARTICLE{icghfdajspra33,
	AUTHOR = {I.~Cernusak and G.~H.~F.~Diercksen and A.~J.~Sadlej},
	KEY = {Fourth-order many-body perturbation-theory study of the
	       electron-correlation contribution to polarizabilities
               of Ne},
	JOURNAL = pra ,
	VOLUME = 33 ,
	YEAR = 1986 ,
	PAGES = 814 }

@ARTICLE{smcdmbjcp100,
	AUTHOR = {S.~M.~Cybulski and D.~M.~Bishop},
	KEY = {Calculation of magnetic properties. IV.
	       Electron-correlated magnetizabilities and rotational
	       g-factors for nine small molecules},
	JOURNAL = jcp ,
	VOLUME = 100 ,
	YEAR = 1994 ,
	PAGES = 2019 }

@ARTICLE{mcsgsdpcp179,
	AUTHOR = {M.~Carnell and S.~Grimme and S.~D.~Peyerimhoff},
	KEY = {Theoretical study of the circular dichroism and VUV
	       spectra of trans-2,3-dimethyloxirane},
	JOURNAL = cp ,
	VOLUME = 179 ,
	YEAR = 1994 ,
	PAGES = 385 }

@ARTICLE{dbcberkdmdaejcc14,
	AUTHOR = {D.~B.~Chesnut and B.~E.~Rusiloski and K.~D.~Moore and
	          D.~A.~Egolf},
	KEY = {Use of Locally Dense Basis Sets for Nuclear Magnetic
	       Resonance Shielding Calculations},
	JOURNAL = jcc ,
	VOLUME = 14 ,
	YEAR = 1993 ,
	PAGES = 1364 }

@ARTICLE{jcjce70,
	AUTHOR = {J.~Casanove},
	KEY = {Computer-Based Molecular Modeling in the Curriculum},
	JOURNAL = jce ,
	VOLUME = 70 ,
	YEAR = 1993 ,
	PAGES = 904 }

@ARTICLE{qcdpagpjcp99,
	AUTHOR = {Q.~Chen and D.~Powers and A.~G.~Pinkus},
	KEY = {Ab initio calculations of circular dichroism for
 	       (S)-2-deuteriopropanoic acid and
 	       (R)-2-deuterioglycine},
	JOURNAL = jcp ,
	VOLUME = 99 ,
	YEAR = 1993 ,
	PAGES = 8451 }

@ARTICLE{icdmccapassjacs115,
	AUTHOR = {I.~Carmichael and D.~M.~Chipman and C.~A.~Podlasek and 
                  A.~S.~Serianni},
	KEY = {Torsional Effects on the One-Bond 13C-13C Spin Coupling 
               Constant in Ethylene Glycol: Insight into the Behavior of 1J(CC)
               in Carbohydrates},
	JOURNAL = jacs ,
	VOLUME = 115 ,
	YEAR = 1993 ,
	PAGES = 10863 }

@ARTICLE{ocpjcpl207,
	AUTHOR = {O.~Christiansen and P.~J{\o}rgensen},
	KEY = {The hyperpolarizability of neon revisited},
	JOURNAL = cpl ,
	YEAR = {1993},
	VOLUME = {207},
	PAGES = {367} }
%keyword: RASSDTQ

@ARTICLE{mhcgldrcpl202,
	AUTHOR = {M.~H.~Coonan and G.~L.~D.~Ritchie},
	KEY = {Cotton-Mouton effect, magnetic anisotropy and molecular 
		 quadrupole moment of acetylene},
	JOURNAL = cpl ,
	YEAR = {1993},
	VOLUME = {202},
	PAGES = {237} }
%keyword: C2H2

@ARTICLE{icjpc97,
	AUTHOR = {I.~Carmichael},
	KEY = {Ab initio Quadratic Configuration Interaction Calculation of 
		 indirect NMR spin-spin coupling constant},
	JOURNAL = jpc ,
	YEAR = {1993},
	VOLUME = {97},
	PAGES = {1789} }
%keyword: CISD, finite field perturbation theory, FC-term, Fermi contact term,
	  ethane, cyclopropane, cyclobutane, bicyclo[1.1.0]butane, C2H6,
	  C3H6, C4H8, CC-coupling constants

@ARTICLE{wcjrjcp98,
	AUTHOR = {W.~Cencek and J.~Rychlewski},
	KEY = {Many-electron explicitly correlated gaussian functions. 
	    	 I. General theory and test results},
	JOURNAL = jcp ,
	YEAR = {1993},
	VOLUME = {98},
	PAGES = {1252} }
%keyword: H3, LiH, correlating gaussian function for many electron systems

@ARTICLE{sictpdjcp37,
	AUTHOR = {S.~I.~Chan and T.~P.~Das},
	KEY = {Simple evaluation of the paramagnetic part of the proton
		 magnetic shielding constant},
	JOURNAL = jcp ,
	YEAR = {1962},
	VOLUME = {37},
	PAGES = {1527} }
%keyword: electronic centroid, paramegntic susceptibility, H2, HF, HCl, HBr,
	  HI, LiH, HCN, C2H2, CH4, NH3, paramagnetic shielding tensor from
	  dipole moment, bond distance and bond angles
%OK

@ARTCILE{dbcckfjcp85,
	AUTHOR = {D.~B.~Chesnut and C.~K.~Foley},
	KEY = {A basis set study of the NMR chemical shift in PH3},
	JOURNAL = jcp ,
	YEAR = {1986},
	VOLUME = {85},
	PAGES = {2814} }
%keyword: GIAO, HF, SCF, 6-31G*, SiH4, H2S, HCl, Bond length and bond angle
	  variations, triple split valence

@ARTICLE{tcjcgwspvrsjcc4,
	AUTHOR = {T.~Clark and J.~Chandrasekhar and G.~W.~Spitznagel and 
		  P.~v.~R.~Schleyer},
	KEY = {Efficient diffuse function-augmented basis sets for anion
		 calculations   III. The 3-21+G basis sets for first-row 
		 elements, Li-F.},
	JOURNAL = jcc ,
	YEAR = {1983},
	VOLUME = {4},
	PAGES = {294} }
keyword: anion geometries, proton affineties, diffuse sp-orbital exponents

@ARTICLE{smcdmbjcp98,
	AUTHOR = {S.~M.~Cybulski and D.~M.~Bishop},
	KEY = {Calculation of magnetic properties.  II. Electron-correlated
		 nuclear shielding constants for nine small molecules},
	JOURNAL = jcp ,
	YEAR = {1993},
	VOLUME = {98},
	PAGES = {8057} }
%keyword: NMR shielding constants, MP2, sum rules, H2, N2, F2, HF, CO, HCN, 
	  HNC, H2O, NH3, vibrational corrections

@ARTICLE{ercbntjpcrd17,
	AUTHOR = {E.~R.~Cohen and B.~N.~Taylor},
	KEY = {The 1986 CODATA Recommended Values of the Fundamental Physical
	         Constants},
	JOURNAL = jpcrd ,
	YEAR = {1988},
	VOLUME = {17},
	PAGES = {1795} }

@ARTICLE{jcjacs111,
	AUTHOR = {J.~Cioslowski},
	KEY = {A New Population Analysis Based on Atomic Polar Tensors},
	JOURNAL = jacs ,
	YEAR = {1989},
	VOLUME = {111},
	PAGES = {8333} }
%Oppbevaring: Trygve Helgaker

@ARTICLE{sceicjuly1993,
	AUTHOR = {S.~Cotton},
	KEY = {A magical chemical tour},
	JOURNAL = eic ,
	YEAR = {1993},
	MONTH = {July},
	PAGES = {92} }
%Kommentar: Knall

@ARTICLE{rycpgkamssa1993,
	AUTHOR = {R.~Y.~Chiao and P.~G.~Kwiat and A.~M.~Steinberg},
	KEY = {Faster than Light?},
	JOURNAL = sa ,
	MONTH = {August},
	YEAR = {1993},
	PAGES = {38} }

%D-bokstav

@Article{admlprb58,
  author = 	 {A.~Devos and M.~Lannoo},
  journal = 	 prb,
  year = 	 {1998},
  key = 	 {Electron-phonon coupling for aromatic molecular
                  crystals: Possible consequences for their
                  superconductivity}, 
  volume = 	 {58},
  pages = 	 {8236}
}

@Article{addbccp234,
  author = 	 {A.~Dransfeld and D.~B.~Chesnut},
  journal = 	 cp,
  year = 	 {1998},
  key = 	 {An ab initio study of NMR isotropic shielding bond
                  length derivatives in phosphorous compounds},
  volume = 	 {234},
  pages = 	 {69}
}

@Article{wtdrlbtntjcc19,
  author = 	 {W.~T.~Duncan and R.~L.~Bell and T.~N.~Truong},
  journal = 	 jcc,
  year = 	 {1998},
  key = 	 {TheRate: Program for Ab Initio Direct Dynamics
                  Calculations of Thermal and
                  Vibrational-State-Selected Rate Constants},
  volume = 	 {19},
  pages = 	 {1039}
}

@Article{adjtlprsa233,
  author = 	 {A.~Dalgarno and J.~T.~Lewis},
  journal = 	 {Proc.~Roy.~Soc.~{\bf A}},
  year = 	 {1955},
  key = 	 {The exact calculation of long-range forces between
                  atoms by perturbation theory},
  volume = 	 {233},
  pages = 	 {70}
}

@Article{ptvdmsjpca,
  author = 	 {P.~Th.~v.Duijnen and M.~Swart},
  journal = 	 jpca,
  year = 	 {1998},
  key = 	 {Molecular and Atomic Polarizabilities: Thole's Model
                  Revisited},
  volume = 	 {102},
  pages = 	 {2399}
}

@Article{erdaajcpl285,
  author = 	 {E.~R.~Davidson and A.~A.~Jarz\c{e}cki},
  journal = 	 cpl,
  year = 	 {1998},
  key = 	 {Zero point corrections to vertical excitation energies},
  volume = 	 {285},
  pages = 	 {155}
}

@Article{tjsdtktthscc1998,
  author = 	 {T.~J.~S.~Dennis and T.~Kai and T.~Tomiyama and
                  H.~Shinohara}, 
  journal = 	 {Chem.~Comm.},
  year = 	 {1998},
  key = 	 {Isolation and characterisation of the two major
                  isomers of [84]fullerene (C84)},
  pages = 	 {619}
}

@Article{ekdjodmbjcp108,
  author = 	 {E.~K.~Dalskov and J.~Oddershede and D.~M.~Bishop},
  journal = 	 jcp,
  year = 	 {1998},
  key = 	 {Static and dynamic polarizability calculations for
                  the polyyne series (C2nH2) with extrapolation to the
                  infinite chain},
  volume = 	 {108},
  pages = 	 {2152}
}

@Article{tdbgsaa53,
  author = 	 {T.~Dudev and B.~Galabov},
  journal = 	 saa,
  year = 	 {1997},
  key = 	 {Ab initio calculations of Raman intensity parameters
                  and geometry of polyynes and polyynenitriles},
  volume = 	 {53},
  pages = 	 {2053}
}

@Article{hdppvvtmric35,
  author = 	 {H.~Dahn and P.~P\'{e}chy and V.~V.~Toan},
  journal = 	 mric,
  year = 	 {1997},
  key = 	 {17O NMR Spectra of Carbonyl Compounds ArCOX:
                  Influence of Groups X on the Polarity of the
                  Carbonyl Group},
  volume = 	 {35},
  pages = 	 {589}
}

@Article{hdpacmric35,
  author = 	 {H.~Dahn and P.-A.~Carrupt},
  journal = 	 mric,
  year = 	 {1997},
  key = 	 {The Origin of the Difference Between the 13C and 17O
                  Shift Behaviour of Carbonyl Compounds RCOX: Ab
                  initio Calculation of the Dhielding Tensors},
  volume = 	 {35},
  pages = 	 {577}
}

@ARTICLE{hdhlrsjnrjhjcc18,
        AUTHOR = {H.~Dachsel and H.~Lischka and R.~Shepard and
                  J.~Nieplocha and R.~J.~Harrison},
        KEY = {A Massively Parallel Multireference Configuration
                  Interaction Program: The Prallel COMLUMBUS Program},
        JOURNAL = jcc ,
        VOLUME = 18 ,
        YEAR = 1997 ,
        PAGES = 430 }

@ARTICLE{acdpnmrs29,
	AUTHOR = {A.~C.~{\mbox de Dios}},
	KEY = {Ab initio calculations of the NMR chemical shift},
	JOURNAL = {Prog.~NMR.~Spectrosc.},
	VOLUME = 29 ,
	YEAR = 1996 ,
	PAGES = 229 }

@ARTICLE{cdkbghpwlhjacs118,	
	AUTHOR = {C.~{\mbox Doubleday Jr.~} and K.~Bolton and
	G.~H.~Peslherbe and W.~L.~Hase},
	KEY = {Direct Dynamics Simulation of the Lifetime of
	Trimethylene},
	JOURNAL = jacs ,
	VOLUME = 118 ,
	YEAR = 1996 ,
	PAGES = 9922 }

@ARTICLE{dmddtpmrbajc32,
	AUTHOR = {D.~M.~Doddrell and D.~T.~Pegg and M.~R.~Bendall},
	KEY = {Field-Dependence of Chemical Shifts in Cobalt(III) NMR
	Spectroscopy. Theoretical Predictions},
	JOURNAL = ajc ,
	VOLUME = 32 ,
	YEAR = 1979 ,
	PAGES = 1 }

@ARTICLE{rdcpcrvrsprb28,
	AUTHOR = {R.~Dovesi and C.~Pisani and C.~Roetti and
	V.~R.~Saunders},
	KEY = {Treatment of Coulomb interactions in Hartree-Fock
	calculations of periodic systems},
	JOURNAL = {Phys.~Rev.~{\bf B}},
	VOLUME = 28 ,
	YEAR = 1983 ,
	PAGES = 5781 }

@ARTICLE{acdmric34,
	AUTHOR = {A.~C.~{\mbox de Dios}},
	KEY = {Ab initio Calculations of 119Sn Magnetic Shielding},
	JOURNAL = mric ,
	VOLUME = 34 ,
	YEAR = 1996 ,
	PAGES = 773 }

@ARTICLE{hdppmric34,
	AUTHOR = {H.~Dahn and P.~P\'{e}chy},
	KEY = {Concerning the Chemical Shift Data (17O, 13C, 1H) of
	Formaldehyde},
	JORNAL = mric ,
	VOLUME = 34 ,
	YEAR = 1996 ,
	PAGES = 723 }

@ARTICLE{pndjhjmsgspwwjsmkdghbdcjcp105,
	AUTHOR = {P.~N.~Day and J.~H.~Jensen and M.~S.~Gordona and S.~P.~Webb
	and W.~J.~Stevens and M.~Krauss D.~Garmer and H.~Basch and
	D.~Cohen},
	KEY = {An effective frgament method for modeling solvent
	effects in quantum mechanical calculations},
	JOURNAL = jcp ,
	VOLUME = 105 ,
	YEAR = 1996 ,
	PAGES = 1968 }

@ARTICLE{fjdpjsjrcmjfjacs118,
	AUTHOR = {F.~J.~Devlin and P.~J.~Stephens and J.~R.~Cheeseman and
	M.~J.~Frisch},
	KEY = {Prediction of Vibrational Circular Dichromism Spectra
	Using Density Functional Theory: Camphor and Fenchone},
	JOURNAL = jacs ,
	VOLUME = 118 ,
	YEAR = 1996 ,
	PAGES = 6327 }

@ARTICLE{rmdtzjpc100,
	AUTHOR = {R.~M.~Dickinson and T.~Ziegler},
	KEY = {NMR Spin-Spin Coupling Constants from Density
	       Functional Theory with Slater-Type Basis Fuunctions},
	JOURNAL = jpc ,
	VOLUME = 100 ,
	YEAR = 1996 ,
	PAGES = 5286 }

@ARTICLE{idjacs118,
	AUTHOR = {I.~Dance},
	KEY = {Nanocrystal [Ti14C13] to Metallocarbohedrene [Ti8C13]:
	       Structural Principles and Mechanism},
	JOURNAL = jacs ,
	VOLUME = 118 ,
	YEAR = 1996 ,
	PAGES = 2699 }

@ARTICLE{zdplpsjfldbcsekjjpc100,
	AUTHOR = {Z.~Deng and P.~L.~Polavarapu and S.~J.~Ford and L.~Hecht
	          and L.~D.~Barron and C.~S.~Ewig and K.~Jalkanen},
	KEY = {Solution-Phase Conformations of
	       N-Acetyl-N'-methyl-L-alaninamide from Vibrational Raman
	       Optical Activity},
	JOURNAL = jpc ,
	VOLUME = 100 ,
	YEAR = 1996 ,
	PAGES = 2025 }

@ARTICLE{fdmratntzpc191,
	AUTHOR = {F.~Dietz and M.~Rabinovitz and A.~Tadjer and
	          N.~Tyutyolkov},
	KEY = {Structure and Energy Spectra of Molecules Containing
	       Anti-Aromatic Ring Systems III. Anti-Aromaticity of Ion
	       Radicals of Benzene and Substituted Benzenes},
	JOURNAL = {Z.~Phys.~Chem.},
	VOLUME = 191 ,
	YEAR = 1995 ,
	PAGES = 15 }

@ARTICLE{bjdyyhfsmp84,
	AUTHOR = {B.~J.~Deleeuw and Y.~Yamaguchi and H.~F.~{\mbox Schaefer
                  III}},
	KEY = {Chromium dihydride (CrH2): theoretical evidence for a
	       bent 5B2 ground state},
	JOUNRAL = mp ,
	VOLUME = 84 ,
	YEAR = 1995 ,
	PAGES = 1109 }

@ARTICLE{kedjce72,
	AUTHOR = {K.~E.~Dierenfeldt},
	KEY = {Isotope Ratio, Oscillator Strength, and Band Positions
	       from CO2 IR Spectra},
	JOURNAL = jce ,
	VOLUME = 72 ,
	YEAR = 1995 ,
	PAGES = 281 }

@ARTICLE{pddpcmdjcp102,
	AUTHOR = {P.~Duffy and D.~P.~Chong and M.~Dupuis},
	KEY = {One-electron properties of several small molecules
	       calculated using the local density approximation with
	       density functional theory},
	JOURNAL = jcp ,
	VOLUME = 102 ,
	YEAR = 1995 ,
	PAGES = 3312 }

@ARTICLE{rdjcp56,
	AUTHOR = {R.~Ditchfield},
	KEY = {Molecular Orbital Theory of Magnetic Shielding and
	       Magnetic Susceptibility},
	JOURNAL = jcp ,
	VOLUME = 56 ,
	YEAR = 1972 ,
	PAGES = 5688 }

@ARTICLE{fhdadjms48,
	AUTHOR = {F.~H.~{\mbox De Leeuw} and A.~Dymanus},
	KEY = {Magnetic Properties and Molecular Quadrupole Moment of
	       HF and HCl by Molecular-Beam Electric-Resonance
	       Spectroscopy},
	JOURNAL = {J.~Mol.~Spectrosc.},
	VOLUME = 48 ,
	YEAR = 1973 ,
	PAGES = 427 }

@ARTICLE{ahdvptvdahjjacrjpdhmbttjcc16,
	AUTHOR = {A.~D.~{\mbox De Vries} and P.~{\mbox Th.~van Duijnen}
	          and A.~H.~Juffer and J.~A.~C.~Rullmann and J.~P.~Dijkman
	          and H.~Merenga and B.~T.~Thole},
	KEY = {Implementation of Reaction Field Methods in Quantum
	       Chemistry Computer Codes},
	JOURNAL = jcc ,
	VOLUME = 16 ,
	YEAR = 1995 ,
	PAGES = 37 }

@ARTICLE{rndcsr1994,
	AUTHOR = {R.~N.~Dixon},
	KEY = {The Dynamics of Photodissociation},
	JOURNAL = csr ,
	VOLUME = {},
	YEAR = 1994 ,
	PAGES = 375 }

@ARTICLE{wedpnas78,
	AUTHOR = {W.~v.~E.~Doering}},
	KEY = {Impact of upwardly revised Delta Hf of primary,
	       secondary, and tertiary radicals on mechanistic
	       constructs in thermal reorganizations},
	JOURNAL = {Proc.~Natl.~Acad.~Sci},
	VOLUME = 78 ,
	YEAR = 1981 ,
	PAGES = 5279 }

@ARTICLE{adyoijqcqcs28,
	AUTHOR = {A.~Diz and Y.~\"{O}hrn},
	KEY = {Electron-Nuclear Dynamics of Molecular Systems},
	JOURNAL = ijqcqcs ,
	VOLUME = 28 ,
	YEAR = 1994 ,
	PAGES = 11 }

@ARTICLE{ajdcrpcsr1994,
	AUTHOR = {A.~J.~Downs and C.~R.~Pulham},
	KEY = {The Hydrides of Aluminium, Gallium, Indium, and
	       Thallium: A Re-evaluation},
	JOURNAL = csr ,
	VOLUME = {},
	YEAR = 1994 ,
	PAGES = 175 }

@ARTICLE{edadrlyormp66,
	AUTHOR = {E.~Deumens and A.~Diz and R.~Longo and Y.~\"{O}hrn},
	KEY = {Time-dependent theoretical treatments of the dynamics
	       of electrons and nuclei in molcular systems},
	JOURNAL = {Rev.~Mod.~Phys.},
	VOLUME = 66 ,
	YEAR = 1994 ,
	PAGES = 917}

@ARTICLE{ldtzijqc52,
	AUTHOR = {L.~Deng and T.~Ziegler},
	KEY = {The Determination of Intrinsic Reaction Coordinates by
	       Density Functional Theory},
	JOURNAL = ijqc ,
	VOLUME = 52 ,
	YEAR = 1994 ,
	PAGES = 731 }

@ARTICLE{pdbhhkhspjpcrd23,
	AUTHOR = {P.~{\mbox De Bi\'{e}vre} and H.~H.~Ku and H.~S.~Peiser},
	KEY = {An Assessment of the Reliability of Atomic Weight Data
	       Based on Successive Evaluations Between 1967 and 1993},
	JOURNAL = jpcrd ,
	VOLUME = 23 ,
	YEAR = 1994 ,
	PAGES = 509 }

@ARTICLE{thdjcp90,
	AUTHOR = {T.~H.~{\mbox Dunning Jr.}},
	KEY = {Gaussian basis sets for use in correlated molecular
	       calculations. I. The atoms boron through neon and
	       hydrogen},
	JOURNAL = jcp ,
	VOLUME = 90 ,
	YEAR = 1989 ,
	PAGES = 1007 }

@ARTICLE{acddddleojacs116,
	AUTHOR = {A.~C.~de Dios and D.~D.~Laws and E.~Oldfield},
	KEY = {Predicting Carbon-13 Nuclear Magnetic Resonance
	       Chemical Shielding Tensors in Zwitterionic L-Threonine
	       and L-Tyrosine via Quantum Chemistry},
	JOURNAL = jacs ,
	VOLUME = 116 ,
	YEAR = 1994 ,
	PAGES = 7784 }

@ARTICLE{mdjmajdjomjcsft90,
	AUTHOR = {M.~Dory and J.~-M.~Andr\'{e} and J.~Delhalle and
   	          J.~O.~Morley},
	KEY = {Theoretical Studies of the Electronic Structure,
	       Conformations, Spectra and Hyperpolarisabilities of
	       Squarates and Related Molecules},
	JOURNAL = jcsft ,
	VOLUME = 90 ,
	YEAR = 1994 ,
	PAGES = 2319 }

@ARTICLE{acddeojacs116,
	AUTHOR = {A.~C.~de Dios and E.~Oldfield},
	KEY = {Ab initio Study of the Effects of Torsion Angles in
	       Carbon-13 Nuclear Magnetic Resonance Chemical Shielding
	       in N-Formyl-L-alanine Amide, N-Formyl-L-valine Amide,
	       and Some Simple Model Compounds: Application to Protein
	       NMR Spectroscopy},
	JOURNAL = jacs ,
	VOLUME = 116 ,
	YEAR = 1994 ,
	PAGES = 5307 }

@ARTICLE{cldhbsjpc98,
	AUTHOR = {C.~L.~Darling and H.~B.~Schlegel},
	KEY = {Dipole Moments, Polarizabilities, and Infrared
	       Intensities Calculated with Electric Field Dependent
	       Functions},
	JOURNAL = jpc ,
	VOLUME = 98 ,
	YEAR = 1994 ,
	PAGES = 5855 }

@ARTICLE{fjdpjsjacs116,
	AUTHOR = {F.~J.~Devlin and P.~J.~Stephens},
	KEY = {Ab Initio Calculation of Vibrational Circular Dichroism
	       Spectra of Chiral Natural Products Using MP2 Force
	       Fields; Camphor},
	JOURNAL = jcas ,
	YEAR = 1994 ,
	PAGES = 5003 }

@ARTICLE{erdsjccpl217,
	AUTHOR = {E.~R.~Davidson and S.~J.~Chakravorty},
	KEY = {A Possible definition of basis set superposition
	       error},
	JOURNAL = cpl ,
	VOLUME = 217 ,
	YEAR = 1994 ,
	PAGES = 48 }

@ARTICLE{gdpdjlrwomr22,
	AUTHOR = {G.~Dombi and P.~Diehl and J.~Lounila and R.~Wasser},
	KEY = {Solvent Dependence of the Molecular Structure of
	       Hydrogen Cyanide Determined by NMR of Partially
	       Oriented Molecules},
	JOURNAL = {Org.~Magn.~Reson.},
	VOLUME = 22 ,
	YEAR = 1984 ,
	PAGES = 573 }

@ARTICLE{hdpprfhca77,
	AUTHOR = {H.~Dahn and P.~P\'{e}chy and R.~Fl\"{o}gel},
	KEY = {NMR of Terminal Oxygen. Part 13. 17O-NMR Spectra of
	       C-Nitroso Compounds, Thionitrites and NO+ Ion:
	       Resonance Effects in O=N-X Compounds and Correlation
	       with CD Spectra},
	JOURNAL = hca ,
	VOLUME = 77 ,
	YEAR = 1994 ,
	PAGES = 306 }

@ARTICLE{adkktjoc460,
	AUTHOR = {A.~Dabrowski and K.~Kamie\'{n}ska-Trela},
	KEY = {One-bond CC and two-bond CH coupling constants in
	       vinyllithium},
	JOURNAL = {J.~Organomet.~Chem.},
	VOLUME = 460 ,
	YEAR = 1993 ,
	PAGES = "C1" }

@ARTICLE{jpcmvdhwdvdmjadbrtcpb93,
	AUTHOR = {J.~P.~C.~M.~{\mbox van Dongen} and H.~W.~D.~
	          {\mbox van Dijkman} and M.~J.~A.~{\mbox de Bie}},
	KEY = {Characteristic 13C chemical shifts and 13C-H coupling
	       constants in organolithium compounds},
	JOURNAL = {Recl.~Trav.~Chim.~Pays-Bas},
	VOLUME = 93 ,
	YEAR = 1974 ,
	PAGES = 29 }

@ARTICLE{tsdjsfrjdmrhihwjcp100,
	AUTHOR = {T.~S.~Dibble and J.~S.~Fransisco and R.~J.~Deeth and
	          M.~R.~Hand and I.~H.~Williams},
	KEY = {Complete active space self-consistent field and density
	       functional study of FNO},
	JOURNAL = jcp ,
	VOLUME = 100 ,
	YEAR = 1994 ,
	PAGES = 459 }

@ARTICLE{jrdakbbspbwhfjacs96,
	AUTHOR = {J.~R.~Davidson and A.~K.~Burnham and B.~Siegel and P.~Beak and
                  W.~H.~Flygare},
	KEY = {The Molecular Zeeman Effect and Magnetic Susceptibility
               Anisotropies of Oxazole and Isooxazole. A magnetic Measure of
               Aromatic Character},
	JOURNAL = jacs ,
	VOLUME = 94 ,
	YEAR = 1974 ,
	PAGES = 7394 }

@ARTICLE{grdgldrjpc97,
	AUTHOR = {G.~R.~Dennis and G.~L.~D.~Ritchie},
	KEY = {Molecular Quadropole Moments, Magnetic Anisotropies, and Charge 
               Distributions of Borazine, B-Trichloroborazine, 
               N-Trimethylborazine, and [14B-Trichloro-N-trimethylborazine. 
               Comparison with Benzene and Its Derivatives},
	JOURNAL = jpc ,
	VOLUME = 97 ,
	YEAR = 1993 ,
	PAGES = 8403 }

@ARTICLE{acddeocpl205,
	AUTHOR = {A.~C.~ de Dios and E.~Oldfield},
	KEY = {Methods for computing nuclear magnetic resonance chemical 
		 shielding in large systems. Multiple cluster and charge
		 field approaches},
	JOURNAL = cpl ,
	YEAR = {1993},
	VOLUME = {205},
	PAGES = {108} }
%keyword: NMR, shielding constans, long range effects, proteins, nucleic acids,
%	  small clusters

@ARTICLE{edadhtyoejcp96,
	AUTHOR = {E.~Deumens and A.~Diz and H.~Taylor and Y.~{\"{O}}hrn},
	KEY = {Time-dependent dynamics of electrons and nuclei},
	JOURNAL = jcp ,
	YEAR = {1992},
	VOLUME = {96},
	PAGES = {6820} }
%keyword: time-dependent variational principle, coherent states, phase space, 
%	  transistion probabilities, excitations probabilities, collisions,
%	  vibrational spectra, anharmonic vibrational corrections

@ARTICLE{erdjcp62,
	AUTHOR = {E.~R.~Davidson},
	KEY = {Use of double cosets in constructing integrals over symmetry
		 orbitals},
	JOURNAL = jcp ,
	YEAR = {1975},
	VOLUME = {62},
	PAGES = {400} }
%keyword:

@ARTICLE{edcpl47,
	AUTHOR = {E.~Dalgaard},
	KEY = {Comment on the use of London's field dependent orbitals},
	JOURNAL = cpl ,
	YEAR = {1977},
	VOLUME = {47},
	PAGES = {279} }
%keyword: GIAO, LAO
%Oppbevaring: Trygve Helgaker

@ARTICLE{hdjcspt2,
	AUTHOR = {H.~Dahn and P.~P\'{e}chy and H.~J.~Bestmann},
	KEY = {NMR of Terminal Oxygen. Part 11. 17O NMR Spectra of Disilyl
                 ketone and Related Compounds: A Case of Strong Deshielding by
                 Electronic Excitation Energy},
	JOURNAL = jcspt2 ,
	VOLUME = {},
	YEAR = {1993},
	PAGES = {1497} }

@ARTICLE{codvrmrsa49,
	AUTHOR = {C.~O.~Della V\'{e}dova and R.~M.~Romano},
	KEY = {Pre-resonance Raman, IR, 19F, 13C, 15N NMR, mass, and UV 
                 spectra in -NSO containing compounds: study of 
                 S(N-sulfinylimine)-perfluoromethyldisulphane, CF3SSNSO},
	JOURNAL = sa ,
	VOLUME = {49A},
	YEAR = {1993},
	PAGES = {1047} }

@ARTICLE{tsdjsfjcp99,
	AUTHOR = {T.~S.~Dibble and J.~S.~Francisco},
	KEY = {FNO: Another challenging molecule for correlation methods},
	JOURNAL = jcp ,
	VOLUME = {99},
	YEAR = {1993},
	PAGES = {397-402} }

@ARTICLE{hgdipgswjpb17,
	AUTHOR = {K.~G.~Dyall and I.~P.~Grant and S.~Wilson},
	KEY = {Matrix representation of operator products},
	JOURNAL = jpbamp ,
	VOLUME = {17},
	YEAR = {1984},
	PAGES = {493} }

%E-bokstav

@Article{kejcccrewjfbjpca101,
  author = 	 {K.~Eichele and J.~C.~C.~Chan and R.~E.~Wasylishen
                  and J.~F.~Britten},
  journal = 	 jpca,
  year = 	 {1997},
  key = 	 {Single-Crystal Cobalt-59 NMR Study of
                  Tris(2,4-pentanedionato-O,O')cobalt(III)}, 
  volume = 	 {101},
  pages = 	 {5423}
}

@Article{pceamrywpzkawjmhmsdgdtsf257,
  author = 	 {P.~C.~Eklund and A.~M.~Rao and Y.~Wang and P.~Zhou
                  and K.-A.~Wang and J.~M.~Holden and
                  M.~S.~Dresselhaus and G.~Dresselhaus},
  journal = 	 {Thin Solid Films},
  year = 	 {1995},
  key = 	 {Optical properties of C60- and C70-based solid films},
  volume = 	 {257},
  pages = 	 {211}
}

@Article{aerjrmp68,
  author = 	 {A.~Ekert and R.~Josza},
  journal = 	 rmp,
  year = 	 {1996},
  key = 	 {Quantum computation and Shor's factoring algorithm},
  volume = 	 {68},
  pages = 	 {733}
}

@Article{wcecwkjcp55,
  author = 	 {W.~C.~Ermler and C.~W.~Kern},
  journal = 	 jcp,
  year = 	 {1971},
  key = 	 {Zero-point Vibrational Corrections to One-Electron
                  Properties of the Water Molecule in the
                  Near-Hartree-Fock Limit},
  volume = 	 {55},
  pages = 	 {4851}
}

@Article{svetvmkapbmwlvewmjcp107,
  author = 	 {S.~V.~Elshocht and T.~Verbiest and M.~Kauranen and
                  A.~Persoons and B.~M.~W.~Langeveld-~Voss and
                  E.~W.~Meijer}, 
  journal = 	 jcp,
  year = 	 {1997},
  key = 	 {Direct evidence of the failure of electric-dipole
                  approximation in second-harmonic generation from a
                  chiral polymer film},
  volume = 	 {107},
  pages = 	 {8201}
}

@Article{cehjajmfsmskpcvqciee36,
  author = 	 {C.~Eickmeier and H.~Junga and A.~J.~Matzger and
                  F.~Scherhag and M.~Shim and K.~P.~C.~Vollhardt},
  journal = 	 aciee,
  year = 	 {1997},
  key =
                  {5,6,11,12,17,18-Hexahydro-1,4,7,10,13,16-hexaethynyltribenzo[a,e,i]cyclododecene: Synthesis and CpCo-Catalyzed Cycloisomerization to the First Superdelocalized Oligophenylenes},
  volume = 	 {36},
  pages = 	 {2103}
}

@Article{dseaesnhnwhwfbjacs119,
  author = 	 {D.~S.~{\mbox van Es} and A.~Egbert and S.~Nkrumah and
                  H.~{\mbox de Nijs} and W.~H.~{\mbox de Wolf} and F.~Bickelhaupt},
  journal = 	 jacs,
  year = 	 {1997},
  key = 	 {8,11-Dichloro-N-tosyl-3-aza[5]metacyclophane: A
                  Highly Strained Aromatic System},
  volume = 	 {119},
  pages = 	 {615}
}

@ARTICLE{ledhszna30,
	AUTHOR = {L.~Engelbrecht and D.~H.~Sutter},
	KEY = {},
	JOURNAL = zna ,
	VOLUME = 30 ,
	YEAR = 1975 ,
	PAGES = 1265 }

@ARTICLE{behusmpjpc100,
	AUTHOR = {B.~Engels and H.~U.~Suter and M.~Peri\'{c}},
	KEY = {Ab initio Investigation of Vibrational Effects on
	Magnetic Hyperfine Coupling Constants in the X3Sigmag- State
	of B2H2},
	JOUNRAL = jpc ,
	VOLUME = 100 ,
	YEAR = 1996 ,
	PAGES = 10121 }

@ARTICLE{seglbrafdercpl252,
	AUTHOR = {S.~Evangelisti and G.~L.~Bendazolli and R.~Ansaloni and
	          F.~Dur\'{i} and E.~Rossi},
	KEY = {A one billion determinant full CI benchmark on the Cray
	       T3D},
	JOURNAL = cpl ,
	VOLUME = 252 ,
	YEAR = 1996 ,
	PAGES = 437 }

@ARTICLE{meggdfmhkaciee34,
	AUTHOR = {M.~Eberstadt and G.~Gemmecker and D.~F.~Mierke and
	          H.~Kessler},
	KEY = {Scalar Coupling Constants - Their Analysis and Their
	       Application for the Elucidation of Structures},
	JOURNAL = aciee ,
	VOLUME = 34 ,
	YEAR = 1995 ,	
	PAGES = 1671 }

@ARTICLE{oeacs49,
	AUTHOR = {{\O}.~Edvardsen},
	KEY = {Using the World-Wide Computer Network, Internet, in
	       Chemical Sciences},
	JOURNAL = acs ,
	VOLUME = 49 ,
	YEAR = 1995 ,
	PAGES = 344 }

@ARTICLE{jremwpspr85,
	AUTHOR = {J.~R.~Eshbach and M.~W.~P.~Strandberg},
	KEY = {Rotational Magnetic Moments of 1sigma Molecules},
	JOURNAL = {Phys.~Rev.},
	VOLUME = 85 ,
	YEAR = 1952 ,
	PAGES = 24 }

@ARTICLE{jegjccjcp101,
	AUTHOR = {J.~{\mbox Espinosa-Garcia} and J.~C.~Corchado},
	KEY = {Analysis of certain factors in the direct dynamics
	       method: Variational rate constant of the NH3 + OH ->
	       NH2 + H2O reaction},
	JOURNAL = jcp ,
	YEAR = 1994 ,
	VOLUME = 101 ,
	PAGES = 8700 }

@ARTICLE{jegjccjcp101,
	AUTHOR = {J.~Espinosa-Garcia and J.~C.~Corchado},
	KEY = {Variational transition-state theory calculation using
	       the direct dynamics method: NH3 + H -> NH2 + H2
	       reaction},
	JOURNAL = jcp ,
	VOLUME = 101 ,
	YEAR = 1994 ,
	PAGES = 1333 }

@ARTICLE{alempgmp82,
	AUTHOR = {A.~L.~Esteban and M.~P.~Galache},
	KEY = {Proton and carbon-13 NMR study of partially oriented
	       1,4-dioxane. Determination of the r-alpha structure and
	       of bond contributions to the orientation},
	JOURNAL = mp ,
	VOLUME = 82 ,
	YEAR = 1994 ,
	PAGES = 303 }

@ARTICLE{alempgedrrbrhcmric32,
	AUTHOR = {A.~L.~Esteban and M.~P.~Galache and E.~Diez and
	          R.~R.~Biekofsky and R.~H.~Contreras},
	KEY = {Methoxy Group Conformation Effects on 13C NMR
	       Parameters in 1-cis-Methoxy- and
	       1-trans-Methoxy-1,3-trans-butadiene},
	JOURNAL = mric ,
	VOLUME = 32 ,
	YEAR = 1994 ,
	PAGES = 199 }

@ARTICLE{reajp62,
	AUTHOR = {R.~Ehrlich},
	KEY = {Ruler physics: Thirty-four demonstrations using a
	       plastic ruler},
	JOURNAL = ajp ,
	VOLUME = 62 ,
	YEAR = 1994 ,
	PAGES = 111 }

@ARTICLE{laejwrjbsljpc98,
	AUTHOR = {L.~A.~Eriksson and J.~Wang and R.~J.~Boyd and S.~Lunell},
	KEY = {A Comparative Study of the Hyperfine Structures of
	       Neutral Nitrogen Oxides: DFT vs CISD Results},
	JOURNAL = jpc ,
	VOLUME = 98 ,
	YEAR = 1994 ,
	PAGES = 792 }

@ARTICLE{laevgmolmdrsjcp99,
	AUTHOR = {L.~A.~Eriksson and V.~G.~Malkin and O.~L.~Malkina and
	          D.~R.~Salahub},
	KEY = {Density functional calculations of isotropic hyperfine
	       coupling constants of radical cations},
	JOURNAL = jcp,
	VOLUME = 99 ,
	YEAR = 1993 ,
	PAGES = 9756 }

@ARTICLE{asejlmfwjpc97,
	AUTHOR = {A.~S.~Edison and J.~L.~Markley and F.~Weinhold},
	KEY = {Calculation of Nuclear Spin-Spin Coupling Constants with 
               ab initio Molecular Orbital Wave Functions},
	JOURNAL = jpc ,
	VOLUME = 97 ,
	YEAR = 1993 ,
	PAGES = 11657 }

@ARTICLE{cekrrmp35,
	AUTHOR = {C.~Edmiston and K.~Ruedenberg},
	KEY = {Localized atomic and molecular orbitals},
	JOURNAL ={Rev.~Mod.~Phys.},
	YEAR = {1963},
	VOLUME = {35},
	PAGES = {457} }
%keyword:

@ARTICLE{stejcp42,
	AUTHOR = {S.~T.~Epstein},
	KEY = {Gauge invariance of the Hartree-Fock approximation},
	JOURNAL = jcp ,
	YEAR = {1965},
	VOLUME = {42},
	PAGES = {2897} }
%keyword: coupled Hartree-Fock, uncoupled Hartree-Fock, HF, SCF, 
	  gauge invariance
%Oppbevaring: Trygve Helgaker

@ARTICLE{stejcp58,
	AUTHOR = {S.~T.~Epstein},
	KEY = {Gauge invariance, current conservation, and GIAO's},
	JOURNAL = jcp ,
	YEAR = {1973},
	VOLUME = {58},
	PAGES = {1592} }
%keyword, GIAO, LAO, HF, SCF, Hartree-Fock, gauge invariance
%Oppbevaring: Trygve Helgaker

@ARTICLE{ckejce65,
	AUTHOR = {C.~K.~Edmiston},
	KEY = {The theoretical emperor is wearing the proper clothing!},
	JOURNAL ={J.~Chem.~Education},
	YEAR = {1988},
	VOLUME = {65},
	PAGES = {219} }
%keyword:

%F-bokstav

@Article{rpfijtp21,
  author = 	 {R.~P.~Feynman},
  journal = 	 {Int.~J.~Theor.~Phys.},
  year = 	 {1982},
  key = 	 {Simulating Physics with Computers},
  volume = 	 {21},
  pages = 	 {467}
}

@Article{fffbrmpre58,
  author = 	 {F.~Formisano and F.~Barocchi and R.~Magli},
  journal = 	 pre,
  year = 	 {1998},
  key = 	 {Long-range interactions in xenon},
  volume = 	 {58},
  pages = 	 {2648}
}

@Article{bufdagp71,
  author = 	 {B.~U.~Felderhof and D.~{\mbox Adu-Gyamfi}},
  journal = 	 {Physica},
  year = 	 {1974},
  key = 	 {The multipole Hamiltonian for molecules},
  volume = 	 {71},
  pages = 	 {399}
}

@Article{bufp71,
  author = 	 {B.~U.~Felderhof},
  journal = 	 {Physica},
  year = 	 {1974},
  key = 	 {molecules in uniform electric and magnetic fields},
  volume = 	 {71},
  pages = 	 {386}
}

@Article{mbfmccpljcp109,
  author = 	 {M.~B.~Ferraro and M.~C.~Caputo and P.~Lazzeretti},
  journal = 	 jcp,
  year = 	 {1998},
  key = 	 {Resolution of alkane molecular polarizabilities into
                  atomic terms},
  volume = 	 {109},
  pages = 	 {2987}
}

@Article{pwfcpl85,
  author = 	 {P.~W.~Fowler},
  journal = 	 cpl,
  year = 	 {1982},
  key = 	 {Property surfaces and molecular symmetry},
  volume = 	 {85},
  pages = 	 {313}
}

@Article{gfrewmjccirjapjpc90,
  author = 	 {G.~Facey and R.~E.~Wasylishen and M.~J.~Collins and
                  C.~I.~Ratcliffe and J.~A.~Ripmeester},
  journal = 	 jpc,
  year = 	 {1986},
  key = 	 {A Deuterium and Selenium-77 NMR Study of the
                  Condensed Phases of Hydrogen Selenide},
  volume = 	 {90},
  pages = 	 {2047}
}

@Article{kjfrewjmr41,
  author = 	 {K.~J.~Friesen and R.~E.~Wasylishen},
  journal = 	 jmr,
  year = 	 {1980},
  key = 	 {Deuterium Isotope Effect on 1J(15N,13C) in Hydrogen
                  Cyanide}, 
  volume = 	 {41},
  pages = 	 {189}
}

@Article{bfscarcpl288,
  author = 	 {B.~Fern\'{a}ndez and S.~Coriani and A.~Rizzo},
  journal = 	 cpl,
  year = 	 {1998},
  key = 	 {MCSCF polarizability and hyperpolarizabilities of
                  HCl and HBr},
  volume = 	 {288},
  pages = 	 {677}
}

@Article{hftbjcp108,
  author = 	 {H.~Fukui and T.~Baba},
  journal = 	 jcp,
  year = 	 {1998},
  key = 	 {Calculation of nuclear magnetic
                  shieldings. XII. Relativistic no-pair equation},
  volume = 	 {108},
  pages = 	 {3854}
}

@Article{pwfwtrmp43,
  author = 	 {P.~W.~Fowler and W.~T.~Raynes},
  journal = 	 mp,
  year = 	 {1981},
  key = 	 {The effects of rotation, vibration and isotopic
                  substitution on the electric dipole moment, the
                  magnetizability and the nuclear magnetic shielding
                  of the water molecule},
  volume = 	 {43},
  pages = 	 {65}
}

@Article{pwfgrwtrmp42,
  author = 	 {P.~W.~Fowler and G.~Riley and W.~T.~Raynes},
  journal = 	 mp,
  year = 	 {1981},
  key = 	 {Dipole moment, magnetizability and nuclear shielding
                  surfaces for the water molecule},
  volume = 	 {42},
  pages = 	 {1463}
}

@Article{hfpnmrs31,
  author = 	 {H.~Fukui},
  journal = 	 {Prog.~NMR.~Spectrosc.},
  year = 	 {1997},
  key = 	 {Theory and calculation of nuclear shielding constants},
  volume = 	 {31},
  pages = 	 {317}
}

@Article{mfpwfgofzjcp107,
  author = 	 {M.~Fanti and P.~W.~Fowler and G.~Orlandi and
                  F.~Zerbetto}, 
  journal = 	 jcp,
  year = 	 {1997},
  key = 	 {Ab initio scaling of the second
                  hyperpolarizabilities of carbon cages},
  volume = 	 {107},
  pages = 	 {5072}
}

@Article{mfgogpfzcp223,
  author = 	 {M.~Fanti and G.~Orlandi and G.~Poggi and
                  F.~Zerbetto}, 
  journal = 	 cp,
  year = 	 {1997},
  key = 	 {Semiempirical quantum-chemical assignment of the
                  circular dichroism spectra of small chiral
                  fullerenes}, 
  volume = 	 {223},
  pages = 	 {159}
}

@Article{mfgofzjacs117,
  author = 	 {M.~Fanti and G.~Orlandi and F.~Zerbetto},
  journal = 	 jacs,
  year = 	 {1995},
  key = 	 {Frequency-Dependent Second-Order Hyperpolarizability
                  of Carbon Clusters: A Semiempirical Investigation},
  volume = 	 {117},
  pages = 	 {6101}
}

@Article{pwfplrzcpl165,
  author = 	 {P.~W.~Fowler and P.~Lazzeretti and R.~Zanasi},
  journal = 	 cpl,
  year = 	 {1990},
  key = 	 {Electric and magnetic properties of the aromatic
                  sixty-carbon cage},
  volume = 	 {165},
  pages = 	 {79}
}

@Article{pwfplmmrzcpl179,
  author = 	 {P.~W.~Fowler and P.~Lazzeretti and M.~Malagoli and
                  R.~Zanasi}, 
  journal = 	 cpl,
  year = 	 {1991},
  key = 	 {Magnetic properties of C60 and C70},
  volume = 	 {179},
  pages = 	 {174}
}

@Article{gdfaprpsmp91,
  author = 	 {G.~D.~Fletcher and A.~P.~Rendell and P.~Sherwood},
  journal = 	 mp,
  year = 	 {1997},
  key = 	 {A parallel second-order M{\o}ller-Plesset gradient},
  volume = 	 {91},
  pages = 	 {431}
}

@Article{afmsmrdlcjgjpca101,
  author = 	 {A.~Forni and M.~Sironi and M.~Raimondi and
                  D.~L.~Cooper and J.~Gerratt},
  journal = 	 jpca,
  year = 	 {1997},
  key = 	 {Theoretical Investigation of Thiophene Oligomers: A
                  Spin-Coupled Study},
  volume = 	 {101},
  pages = 	 {4437}
}

@Article{mjfmhgjapcpl166-1,
  author = 	 {M.~J.~Frisch and M.~Head-Gordon and J.~A.~Pople},
  journal = 	 cpl,
  year = 	 {1990},
  key = 	 {Semi-direct algorithms for the MP2 energy and gradient},
  volume = 	 {166},
  pages = 	 {281}
}

@Article{mjfmhgjapcpl166-2,
  author = 	 {M.~J.~Frisch and M.~Head-Gordon and J.~A.~Pople},
  journal = 	 cpl,
  year = 	 {1990},
  key = 	 {A direct MP2 gradient method},
  volume = 	 {166},
  pages = 	 {275}
}

@Article{whfjgjcp49,
  author = 	 {W.~H.~Flygare and J.~Goodisman},
  journal = 	 {jcp},
  year = 	 {1968},
  key = 	 {Calculation of Diamagnetic Shielding in Molecules},
  volume = 	 {49},
  pages = 	 {3122}
}

@Article{mfgofzjpca101,
  author = 	 {M.~Fanti and G.~Orlandi and F.~Zerbetto},
  journal = 	 {jpca},
  year = 	 {1997},
  key = 	 {Polarization Effcts in Push-Pull
                  Buckminsterfullerenes: A Semiempirical Study},
  volume = 	 {101},
  pages = 	 {3015}
}

@ARTICLE{pwfesjpca101,
        AUTHOR = {P.~W.~Fowler and E.~Steiner},
        KEY = {Ring Currents and Aromaticity of Monocyclic pi-Electron
                  Systems C6H6, B3N3H6, B3O3H3, C3N3H3, C5H5-, C7H7+,
                  C3N3F3, C6H3F3, and C6F6},
        JOURNAL = {J.~Phys.~Chem.~{\bf A}},
        VOLUME = 101 ,
        YEAR = 1997 ,
        PAGES = 1409 }

@ARTICLE{jbftakkbwjsmjfjpc100,
	AUTHOR = {J.~B.~Foresman and T.~A.~Keith and K.~B.~Wiberg and
	J.~Snoonian and M.~J.~Frisch},
	KEY = {Solvent Effects. 5.Influence of Cavity Shape,
	Truncation of Electrostatics, and Electron Correlation on ab
	initio Reaction Field Calculations},
	JOURNAL = jpc ,
	VOLUME = 100 ,
	YEAR = 1996 ,
	PAGES = 16098 }

@ARTICLE{hftbjnhikmhmjcp105,
	AUTHOR = {H.~Fukui and T.~Baba and J.~Narumi and H.~Inomata and
	K.~Miura and H.~Matsuda},
	KEY = {Calculation of nuclear magnetic
	shieldings. XI. Vibrational motion effects},
	JOURNAL = jcp ,
	VOLUME = 105 ,
	YEAR = 1996 ,
	PAGES = 4692 }

@ARTICLE{hftbhijcp105,
	AUTHOR = {H.~Fukui and T.~Baba and H.~Inomata},
	KEY = {Calculation of nuclear magnetic
	shieldings. X. Relativistic effects},
	JOURNAL = jcp ,
	VOLUME = 105 ,
	YEAR = 1996 ,
	PAGES = 3175 }

@ARTICLE{dfjcp96,
	AUTHOR = {D.~Feller},
	KEY = {Application of systematic sequences of wave functions
	to the water dimer},
	JOURNAL = jcp ,
	VOLUME = 96 ,
	YEAR = 1992 ,
	PAGES = 6104 }

@ARTICLE{mafolmvgmcpl258,
	AUTHOR = {M.~A.~Fedotov and O.~L.~Malkina and V.~G.~Malkin},
	KEY = {35/37Cl NMR chemical shifts and nuclear quadrupole
	couplings for some small chlorine compounds: experimental and
	theoretical study},
	JOURNAL = cpl ,
	VOLUME = 258 ,
	YEAR = 1996 ,
	PAGES = 330 }
	
@ARTICLE{pwfsapaclajscpl257,
	AUTHOR = {P.~W.~Fowler and S.~A.~Peebles and A.~C.~Legon and
	A.~J.~Sadlej},
	KEY = {Electric field gradients and Sternheimer-type
	properties of the BrCl molecule: correlated, relativistic, ab
	initio calculations and modelling of nuclear quadrupole
	coupling constants in comples B...BrCl},
	JOURNAL = cpl ,	
	VOLUME = 257 ,
	YEAR = 1996 ,
	PAGES = 249 }

@ARTICLE{jcfrjpdmgjacs118,
	AUTHOR = {J.~C.~Facelli and R.~J.~Pugmire and D.~M.~Grant},
	KEY = {Effects of Hydrogen Bonding in the Calculation of 15N
	Chemical Shift Tensors: Benzamide},
	JOURNAL = jacs ,
	VOLUME = 118 ,
	YEAR = 1996 ,
	PAGES = 5488 }

@ARTICLE{pwfrzbcescpl251,
	AUTHOR = {P.~W.~Fowler and R.~Zanasi and B.~Cadioli and
	          E.~Steiner},
	KEY = {Ring currents and magnetic properties of pyracylene},
	JOURNAL = cpl ,
	YEAR = 1996 ,
	VOLUME = 251 ,
	PAGES = 132 }

@ARTICLE{pfvbkjjmwrjhmfgcpl250,
	AUTHOR = {P.~Fantucci and V.~Bona\v{c}i\'{c}-Kouteck\'{y} and
	          J.~Jellinek and M.~Wiechert and R.~J.~Harrison and
	          M.~F.~Guest},
	KEY = {Ab initio Hartree-Fock molecular dynamics with parallel
	       processing: application to small neutral and charged
	       Lin clusters},
	JOURNAL = cpl ,
	VOLUME = 250 ,
	YEAR = 1996 ,
	PAGES = 47 }

@ARTICLE{mffzlsyjms337,
	AUTHOR = {M.~-F.~Fan and Z.~Lin and S.~Yang},
	KEY = {Closed-Shell electronic requirements for small
	       fullerene cage structures},
	JOURNAL = {J.~Mol.~Struct.~(THEOCHEM)},
	VOLUME = 337 ,
	YEAR = 1995 ,
	PAGES = 231 }

@ARTICLE{mbfmccjms335,
	AUTHOR = {M.~B.~Ferraro and M.~C.~Caputo},
	KEY = {Ab initio calculations of magnetic susceptibilities on
	       HF, H2O, CH4 and NH3 compounds employing the Geertsen's
	       gauge independent method},
	JOURNAL = {J.~Mol.~Struct.~(THEOCHEM)},
	VOLUME = 335 ,
	YEAR = 1995 ,
	PAGES = 69 }

@ARTICLE{afcwvscp192,
	AUTHOR = {A.~Freitag and {\mbox Ch.~van} W\"{u}llen and
	          V.~Staemmler},
	KEY = {An ab initio study of the chemical bond and the 129Xe
	       NMR chemical shifts in M+-Xe compounds, M=Li, Na, K,
	       Cu, Ag},
	JOURNAL = cp ,
	YEAR = 1995 ,
	VOLUME = 192 ,
	PAGES = 267 }

@ARTICLE{jfjojcp101,
	AUTHOR = {J.~Fagerstr\"{o}m and J.~Oddershede},
	KEY = {Effects of the energy asymptotes on the calculations of
	       nuclear magnetic shieldings and static
	       polarizabilities},
	JOURNAL = jcp ,
	VOLUME = 101 ,
	YEAR = 1994 ,
	PAGES = 10775 }

@ARTICLE{hfnmr22,
	AUTHOR = {H.~Fukui},
	KEY = {Theoretical aspects of Spin-Spin Couplings},
	JOURNAL = {Spec.~Per.~Reps.~Nuc.~Magn.~Resonan.},
	VOLUME = 22 ,
	YEAR = 1993 ,
	PAGES = 138 }

@ARTICLE{hfnmr23,
	AUTHOR = {H.~Fukui},
	KEY = {Theoretical aspects of Spin-Spin Couplings},
	JOURNAL = {Spec.~Per.~Reps.~Nuc.~Magn.~Resonan.},
	VOLUME = 23 ,
	YEAR = 1994 ,
	PAGES = 124 }

@ARTICLE{swflpjml59,
	AUTHOR = {S.~W.~Filipczuk and L.~Phillips},
	KEY = {Dipole rotation in some substituted ferrocenes},
	JOURNAL = {J.~Mol.~Liq.},
	VOLUME = 59 ,
	YEAR = 1994 ,
	PAGES = 13 }

@ARTICLE{cffpjcpc84,
	AUTHOR = {C.~F.~Fischer and P.~J\"{o}nsson},
	KEY = {MCHF calculations of atomic properties},
	JOURNAL = cpc ,
	VOLUME = 84 ,
	YEAR = 1994 ,
	PAGES = 37 }
%Spesialutgave i hylla

@ARTICLE{gfhdpcszna49,
	AUTHOR = {G.~Frantz and H.~Dufner and P.~C.~Schmidt},
	KEY = {Theoretical investigation on the Nuclear Quadrupole
	       Interaction of CH3Cl, CH2Cl2, and CHCl3},
	JOURNAL = zna ,
	VOLUME = 49 ,
	YEAR = 1994 ,
	PAGES = 116 }

@ARTICLE{fmfpra50,
	AUTHOR = {F.~M.~Fern\'{a}ndez},
	KEY = {Corrections to the Born-Oppenheimer approximation by
	       means of perturbation theory},
	JOURNAL = pra ,
	VOLUME = 50 ,
	YEAR = 1994 ,
	PAGES = 2953 }

@ARTICLE{ufwkplvmjacs116,
	AUTHOR = {U.~Fleischer and W.~Kutzelnigg and P.~Lazzeretti and
	          V.~M\"{u}hlenkamp},
	KEY = {IGLO Study of Benzene and Some of Its Isomers and
	       Related Molecules. Search for Evidence of the Ring
	       Current Model},
	JOURNAL = jacs ,
	VOLUME = 116 ,
	YEAR = 1994 ,
	PAGES = 5298 }

@ARTICLE{jtfcdstdchfsjcp100,
	AUTHOR = {J.~T.~Fermann and C.~D.~Sherrill and T.~D.~Crawford and
	          H.~F.~{\mbox Schaefer III}},
	KEY = {Benchmark studies of electron correlation in
	       six-electron systems},
	JOURNAL = jcp ,
	VOLUME = 100 ,
	YEAR = 1994 ,
	PAGES = 8132 }

@ARTICLE{pwfhmknvmp82,
	AUTHOR = {P.~W.~Fowler and H.~M.~Kelly and N.~Vaidehi},
	KEY = {A model for multipole polarizabilities and dispersion
	       coefficients},
	JOURNAL = mp ,
	VOLUME = 82 ,
	YEAR = 1994 ,
	PAGES = 211 }

@ARTICLE{hftbhmkmjcp100,
	AUTHOR = {H.~Fukui and T.~Baba and H.~Matsuda and K.~Miura},
	KEY = {Calculation of nuclear magnetic shieldings. IX.
	       Electron correlation effects},
	JOURNAL = jcp ,
	VOLUME = 100 ,
	YEAR = 1994 ,
	PAGES = 6608 }

@ARTICLE{whfrcbmp20,
	AUTHOR = {W.~H.~Flygare and R.~C.~Benson},
	KEY = {The molecular Zeeman effect in diamagnetic molecules
	       and the determination of molecular magnetic moments (g
	       values), magnetic susceptibilities, and molecular
	       quadrupole moments},
	JOURNAL = mp ,
	VOLUME = 20 ,	
	YEAR = 1971 ,	
	PAGES = 225 }
%OK

@ARTICLE{cfcjumtjcp100,
	AUTHOR = {C.~Filippi and C.~J.~Umrigar and M.~Taut},
	KEY = {Comparison of exact and approximate density functionals
	       for an exactly soluble model},
	JOURNAL = jcp ,	
	VOLUME = 100 ,
	YEAR = 1994 ,
	PAGES = 1290 }

@ARTICLE{mmfwjpwjhjsbmsgdjdjapjcp77,
	AUTHOR = {M.~M.~Francl and W.~J.~Pietro and W.~J.~Hehre and J.~Stephen Binkley
		  and M.~S.~Gordon and D.~J.~DeFrees and J.~A.~Pople},
	KEY = {Self-consistent molecular orbital metods
               XXIII. A polarization type basis set for second-row elements.},
	JOURNAL = jcp ,
	YEAR = {1982},
	VOLUME = {77},
	PAGES = {3654} }
%keyword: 6-31G*, 6-31G**, second row elements, HF, SCF, 
%	  vibrational frequencies

@ARTICLE{jcfdmgtdbaehjcc11,
	AUTHOR = {J.~C.~Facelli and D.~M.~Grant and T.~D.~Bouman and Aa.~E.~Hansen},
	KEY = {A comparison of the IGLO and LORG metods for the calculation
		 of nuclear magnetic shieldings},
	JOURNAL ={J.~Comp.~Chem.},
	YEAR = {1990},
	VOLUME = {11},
	PAGES = {32} }
%keyword: fluoromethanes, SCF, HF

@ARTICLE{jmfsfbrmp32,
	AUTHOR = {J.~M.~Foster and S.~F.~Boys},
	KEY = {Canonical configurational interaction theory},
	JOURNAL ={Rev.~Mod.~Phys.},
	YEAR = {1960},
	VOLUME = {32},
	PAGES = {300} }
%keyword: localized orbitals

@ARTICLE{jpfhpgmrjms151,
	AUTHOR = {J.~P.~Flament and H.~P.~Gervais and M.~Rerat},
	KEY = {Gauge-dependent ket calculation of the magnetic properties of
		 molecules  I. Method and apllication to H2, H2O and CO},
	JOURNAL ={J.~Mol.~Struct.},
	YEAR = {1987},
	VOLUME = {151},
	PAGES = {39} }
%keyword: SCF-CI, gauge-including perturbed state

@ARTICLE{jpfhpgmrjms164,
	AUTHOR = {J.~P.~Flament and H.~P.~Gervais and M.~Rerat},
	KEY = {Gauge-dependent ket calculation of the magnetic properties of
		 molecules  II. Rovibronic corrections and temperature
		 dependence of screening constants in H2 and CO},
	JOURNAL ={J.~Mol.~Struct.},
	YEAR = {1988},
	VOLUME = {164},
	PAGES = {121} }
%keyword: SCF-CI

@ARTICLE{mbftehplmmrzjcp98,
	AUTHOR = {M.~B.~Ferraro and T.~E.~Herr and P.~Lazzeretti and M.~Malagoli and
		  R.~Zanasi},
	KEY = {Calculation of molecular magnetic properties within the
		 Landau gauge in hydrogenfluoride, ammonia and methane 
		 molecules},
	JOURNAL = jcp ,
	YEAR = {1993},
	VOLUME = {98},
	PAGES = {4030} }
%keyword: HF, NH3, CH4, magnetic susceptibility, magnetizability, 
%	  magnetic shieldings, RPA, random phase approximation

@ARTICLE{ffplmmrztpjpc97,
	AUTHOR = {F.~Faglioni and P.~Lazzeretti and M.~Maglioli and R.~Zanasi and
		  T.~Prosperi},
	KEY = {Calculation of infrared and vibrational circular dichroism
		 via nuclear electromagnetic shieldings},
	JOURNAL = jcp ,
	YEAR = {1993},
	VOLUME = {97},
	PAGES = {2535} }
%keyword: VCD, RPA, 6-31G*, 6-31G**, 6-31Gext, 6-31Gpol

@ARTICLE{ufmswkjcp86,
	AUTHOR = {U.~Fleischer and M.~Schindler and W.~Kutzelnigg},
	KEY = {Magnetic properties in terms of localized quantities. VI.
                 Small hydrides, fluorides, and homonuclear molecules of 
                 phosphorous and silicon},
	JOURNAL = jcp ,
	VOLUME = {86},
	YEAR = {1987},
	PAGES = {6337} }

@ARTICLE{mjfbgjpmwgdjfrhncpl206,
	AUTHOR = {M.~J.~Frisch and B.~G.~Johnson and P.~M.~W.~Gill and D.~J.~Fox and
                  R.~H.~Nobes},
	KEY = {An improved criterion for evaluating the efficiency of 
                 two-electron integral algorithms},
	JOURNAL = cpl ,
	VOLUME = {206},
	YEAR = {1993},
	PAGES = {225} }

@ARTICLE{dafsmjjacs115,
	AUTHOR = {D.~A.~Forsyth and S.~M.~Johnson},
	KEY = {NMR Detection of Unusual Eclipsed Structure Establishes the
                 Origin of Large Specific Rotations in Chirally Deuterated 
                 Amines},
	JOURNAL = jacs ,
	VOLUME = {115},
	YEAR = {1993},
	PAGES = {3364} }

@ARTICLE{ufwkabjsjacs115,
	AUTHOR = {U.~Fleischer and W.~Kutzelnigg and A.~Bleiber and J.~Sauer},
	KEY = {1H NMR Chemical Shift and Intrinsic Acidity of Hydroxyl 
                Groups.~ Ab intio Calculations on Catalytically Active Sites 
                 and Gas-Phase Molecules},
	JOURNAL = jacs ,
	VOLUME = {115},
	YEAR = {1993},
	PAGES = {7833} }

@ARTICLE{emfegiffnl135,
	AUTHOR = {E.~M.~Fykse and E.~G.~Iversen and F.~Fonnum},
	KEY = {Inhibition of L-glutamate uptake in synaptic vesicles},
	JOURNAL = {Neurosci.~Lett.},
	VOLUME = {135},
	YEAR = {1993},
	PAGES = {125} }

@ARTICLE{whfwhrlspdfjcp50,
	AUTHOR = {W.~H.~Flygare and W.~H\"{u}ttner and R.~L.~Shoemaker and 
                  P.~D.~Foster},
	KEY = {Magnetic Susceptibility Anisotropy, Molecular Quadrupole 
                 Moment, and the Sign of the Electric Dipole Moment in OCS},
	JOURNAL = jcp ,
	VOLUME = {50},
	YEAR = {1969},
	PAGES = {1714} }

@ARTICLE{mfgfakcpl208,
	AUTHOR = {M.~Feyereisen and G.~Fitzgerald and A.~Komornicki},
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                 application in MP2 energy calculations},
	JOURNAL = cpl ,
	VOLUME = {208},
	YEAR = {1993},
	PAGES = {359} }

@ARTICLE{whfjcp41,
	AUTHOR = {W.~H.~Flygare},
	KEY = {Spin-Rotation Interactions and Magnetic Shielding in 
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	JOURNAL = jcp ,
	VOLUME = {41},
	YEAR = {1964},
	PAGES = {793} }

@ARTICLE{pwfhmkajscpl212,
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	JOURNAL = cpl ,
	VOLUME = {212},
	YEAR = {1993},
	PAGES = {659} }

@ARTICLE{hfkmhmtbjcp97,
	AUTHOR = {H.~Fukui and K.~Miura and H.~Matsuda and T.~Baba},
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	JOURNAL = jcp ,
	VOLUME = {97},
	YEAR = {1992},
	PAGES = {2299} }

@ARTICLE{hfkmhmjcp96,
	AUTHOR = {H.~Fukui and K.~Miura and H.~Matsuda},
	KEY = {Calculation of nuclear magnetic shieldings. VIII. Gauge 
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	JOURNAL = jcp ,
	VOLUME = {96},
	YEAR = {1992},
	PAGES = {2039}, 
	NOTES = {Note the erratum in J.~Chem.~Phys.~\ {\bf 98}, 5999 (1993)} }

@ARTICLE{hfkmhmjcp98,
	AUTHOR = {H.~Fukui and K.~Miura and H.~Matsuda},
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%G-bokstav

@Article{jgjsfjcp109,
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@Article{dbgajamabjxlmzaciee37,
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  key = 	 {Structures of Solvent-Free, Monomeric LiCCH, NaCCH,
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@Article{mgrsevazwhhyic37,
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  journal = 	 ic,
  year = 	 {1998},
  key = 	 {Optically Detected Magnetic Resonance in the Lowest
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  volume = 	 {37},
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@Article{mgcuprb58,
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@Article{lkgprl79,
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  pages = 	 {325}
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@Article{cegdjpamfnmrabjcp109,
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  journal = 	 jcp,
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  key = 	 {Nuclear magnetic resonance study of the internal
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@Article{jgjcp109,
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@Article{bghspmmclgjms190,
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@Article{bgcpl288,
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@Article{krgmsgjcp108,
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@Article{jkgdccklmgbrjss275,
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  journal = 	 {Science},
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@Article{jgdsmp91,
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  journal = 	 mp,
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  volume = 	 {91},
  pages = 	 {449}
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@Article{jgjfsjms398,
  author = 	 {J.~Gauss and J.~F.~Stanton},
  journal = 	 {J.~Mol.~Struct.~(THEOCHEM)},
  year = 	 {1997},
  key = 	 {Electron correlation effects on the calculated 13C
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  volume = 	 {398--399},
  pages = 	 {73}
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@Article{mjgrermp91,
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  key = 	 {Physical implications of the use of primitive and
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  volume = 	 {91},
  pages = 	 {589}
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@Article{bghspmmclgjcp106,
  author = 	 {B.~Gatehouse and H.~S.~P.~M\"{u}ller and M.~C.~L.~Gerry},
  journal = 	 jcp,
  year = 	 1997,
  key = 	 {19F spin-rotation constants and shielding tensor of
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  pages = 	 {6916}
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@ARTICLE{jcgnbskslntvic35,
	AUTHOR = {J.~-C.~Guillemin and N.~Bellec and S.~K.~Sz\'{e}tsi and
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	KEY = {Vinylmercury Hydrides: Synthesis and Spectroscopic
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@ARTICLE{sgwgjcp52,
	AUTHOR = {S.~Gustavson and W.~Gordy},
	KEY = {Magnetic-Susceptibility Anisotropy of CO and CS},
	JOURNAL = jcp ,
	VOLUME = 52 ,
	YEAR = 1970 ,
	PAGES = 579 }

@ARTICLE{kmgmmyrhcjrdcjc74,
	AUTHOR = {K.~M.~Gough and M.~M.~Yacowar and R.~H.~Cleve and
	J.~R.~Dwyer},
	KEY = {Analysis of molecular polarizabilities and
	polarizability derivatives in H2, N2, F2, CO, and HF, with the
	theory of atoms in molecules},
	JOURNAL = cjc ,
	VOLUME = 74 ,
	YEAR = 1996 }

@ARTICLE{cggcvvmcrarhcjjdamjcsft92,
	AUTHOR = {C.~G.~Giribet and C.~V.~Vizioli and M.~C.~R.~{\mbox de
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	KEY = {Proximity effects on nuclear spin-spin coupling
	constants. Part 2.- The electric field effect on 1J(CH)
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	JOURNAL = jcsft ,
	VOLUME = 92 ,
	YEAR = 1996 ,
	PAGES = 3029 }

@ARTICLE{pmwgrdajapmp88,
	AUTHOR = {P.~M.~W.~Gill and R.~D.~Adamson and J.~A.~Pople},
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	YEAR = 1996 ,
	PAGES = 1005 }

@ARTICLE{msggcttjpc100,
	AUTHOR = {M.~S.~Gordon and G.~Chaban and T.~Taketsugu},
	KEY = {Interfacing Electronic Structure Theory with Dynamics},
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	YEAR = 1996 ,
	PAGES = 11512 }

@ARTICLE{jgacr29,
	AUTHOR = {J.~Gao},
	KEY = {Hybrid Quntum and Molecular Mechanical Simulations: An
	Alternative Avenue to Solvent Effects in Organic Chemistry},
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	YEAR = 1996 ,
	PAGES = 298 }
	
@ARTICLE{fggmcpl254,
	AUTHOR = {F.~Geig\'{e}r and G.~Marowsky},
	KEY = {Optical second-harmonic generation from oligothiophene
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	YEAR = 1996 ,
	PAGES = 179 }

@ARTICLE{bmgmzio35,
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	KEY = {Strain Energies in Homoatomic Nitrogen Clusters N4, N6,
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	VOLUME = 35 ,
	YEAR = 1996 ,
	PAGES = 3289 }

@ARTICLE{rjgearaciee35,
	AUTHOR = {R.~J.~Gillespie and E.~A.~Robinson},
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	VOLUME= 35 ,
	YEAR = 1996 ,
	PAGES = 495 }

@ARTICLE{jgjfsjcp104,
	AUTHOR = {J.~Gauss and J.~F.~Stanton},
	KEY = {Perturbative treatment of triple excitations in
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	VOLUME = 104 ,
	YEAR = 1996 ,
	PAGES = 2574 }

@ARTICLE{grgmchtjhvlpr94,
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	KEY = {Hyperfine Structure in the Spectrum of
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@ARTICLE{jgjogesijqcqcs21,
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	       Using a Coupled-Cluster Polarization Propagator
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	YEAR = 1987 ,
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@ARTICLE{jgjogesjcp87,
	AUTHOR = {J.~Geertsen and J.~Oddershede and G.~E.~Scuseria},
	KEY = {Spin-spin coupling constants of CO and N2},
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	VOLUME = 87 ,
	YEAR = 1987 ,
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@ARTICLE{jgjfsjcp103,
	AUTHOR = {J.~Gauss and J.~F.~Stanton},
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	YEAR = 1995 ,
	PAGES = 3561 }

@ARTICLE{fagskcp196,
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	VOLUME = 196 ,
	YEAR = 1995 ,
	PAGES = 485 }

@ARTICLE{dgaivieaccpl240,
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	VOLUME = 240 ,
	YEAR = 1995 ,
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@ARTICLE{rgobaciee34,
	AUTHOR = {R.~Gleiter and O.~Borzyk},
	KEY = {Synthesis of Rodlike Distellenes},
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@ARTICLE{bgsbubmsjdpbhmhpbjfnprsmraciee34,
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	          and P.~Binger and J.~F.~Nixon and P.~v.~R.~Schleyer
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	KEY = {Tetraphosphatricyclo[4.2.0.0(2,5)]octadienes; New
	       Phosphaalkyne Cyclotetramers Derived from
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	VOLUME = 34 ,
	YEAR = 1995 ,
	PAGES = 484 }

@ARTICLE{cjgrahjpc99,
	AUTHOR = {C.~J.~Grayce and R.~A.~Harris},
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	YEAR = 1995 ,
	PAGES = 2724 }

@ARTICLE{hgaciee34,
	AUTHOR = {H.~Gr\"{u}tzmacher},
	KEY = {Five-Memebered Aromatic and Antiaromatic Rings with
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@ARTICLE{mgwtrmrin33,
	AUTHOR = {M.~Grayson and W.~T.~Raynes},
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	YEAR = 1995 ,
	PAGES = 138 }

@ARTICLE{jgjfsjcp102,
	AUTHOR = {J.~Gauss and J.~F.~Stanton},
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	VOLUME = 102 ,
	YEAR = 1995 ,
	PAGES = 251 }

@ARTICLE{vgcpl230,
	AUTHOR = {V.~Galasso},
	KEY = {Theoretical study of the 1J(13C-13C) indirect nuclear
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	VOLUME = 230 ,
	YEAR = 1994 ,
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@ARTICLE{lgvgmsrcpc84,
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%Spesialutgave i hylla

@ARTICLE{ipgcpc84,
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	KEY = {Relativistic calculation of atomic properties},
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	YEAR = 1994 ,
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%Spesialutgave i hylla

@ARTICLE{rsgcljhfsjcp95,
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@ARTICLE{fgmjensjojcp79,
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	KEY = {Theoretical interpretation of the resonance Raman
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@ARTICLE{jgcpl229,
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@ARTICLE{cjgrahpra50,
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@ARTICLE{bcgdgtjpc83,
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@ARTICLE{bcgmjrrsdgtkkbdbmwsmsgjpc92,
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@ARTICLE{sjgmlcjce71,
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@ARTICLE{vgcp184,
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	KEY = {Theoretical study of spectroscopic  properties of
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@ARTICLE{jgjowtrtlmmp82,
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@ARTICLE{rjgibrsdrfwbic33,
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@ARTICLE{vgcp181,
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@ARTICLE{mgwtrmp81,
	AUTHOR = {M.~Grayson and W.~T.~Raynes},
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@ARTICLE{mdglcbarjaaijqc49,
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@ARTICLE{jgcpl116,
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%Spesialutgave i hylla

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%Spesialutgave i hylla

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%OK

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@INCOLLECTION{thprtmest,
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@INCOLLECTION{thpj1992,
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@ARTICLE{theuhjajcpl173,
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%Oppbevaring: Trygve Helgaker

@ARTICLE{thpjjcp95,
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%Oppbevaring: Trygve Helgaker

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%I-bokstav

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%J-bokstav

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%K-bokstav:

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  publisher = {Kluwer, Dordrecht},
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@InCollection{wkcvwufrftmjat,
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  booktitle = 	 {Nuclear Magnetic Shieldings and Molecular
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  key = 	 {The IGLO method. Recent developments},
  publisher = {NATO ASI series, Plenum},
  year = 	 {1993},
  editor = 	 {J.~A.~Tossell}
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%OK

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%L-bokstav:

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@ARTICLE{almmborcp196,
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%Spesialutgave i hylla

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%Spesialutgave i hylla

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%OK

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	KEY = {How Aromatic Are the Benzene Rings in Biphenylene? The
	       Synthesis and NMR Properties of a Biphenyleno Fused
	       Dihydropyrene},
	JOURNAL = jacs ,
	VOLUME = 118 ,
	YEAR = 1996 ,
	PAGES = 2903 }

@ARTICLE{cembhcxqwjpc100,
	AUTHOR = {C.~E.~Moore and B.~H.~Cardelino and X.-Q.~Wang},
	KEY = {Static Third-Order Polarizability Calculations for C60,
	       C70, and C84},
	JOURNAL = jpc ,
	VOLUME = 100 ,
	YEAR = 1996 ,
	PAGES = 4685 }

@ARTICLE{gmcptca93,
	AUTHOR = {G.~Maroulis and C.~Pouchan},
	KEY = {Accurate electric multipole moments for HCN and HCP
	       from CCSD(T) calculations with large gaussian basis
	       sets},
	JOURNAL = tca ,
	VOLUME = 93 ,
	YEAR = 1996 ,
	PAGES = 131 }

@ARTICLE{jomjms362,
	AUTHOR = {J.~O.~Morley},
	KEY = {Calculation of the electronic structure and nonlinear
	       optical properties of three blue dyes},
	JOURNAL = {J.~Mol.~Struct.~(THEOCHEM)},
	VOLUME = 362 ,
	YEAR = 1996 ,
	PAGES = 235 }

@ARTICLE{jmadedyojcp103,
	AUTHOR = {J.~Morales and A.~Diz and E.~Deumens and Y.~\"{O}hrn},
	KEY = {Electron nuclear dynamics of H+ + H2 collisions at
	       E_lab=30ev},
	JOURNAL = jcp ,	
	VOLUME = 103 ,
	YEAR = 1995 ,
	PAGES = 9968 }

@ARTICLE{wfmfcmamcaknwjrs26,
	AUTHOR = {W.~F.~Murphy and D.~C.~McKean and A.~M.~Coats and
	          A.~Kindness and N.~Wilkie},
	KEY = {Raman and Infrared Intensities in Trimethylamine
	       Species, Polarizability and Dipole Derivatives and
	       Effective Charges},
	JOURNAL = {J.~Raman Spectrosc.},
	VOLUME = 26 ,
	YEAR = 1995 ,
	PAGES = 763 }

@ARTICLE{bmhmsrbrhfsjacs117,
	AUTHOR = {B.~Ma and H.~M.~Sulzbach and R.~B.~Remington and
	          H.~F.~{\mbox Schaefer III}},
	KEY = {Structure, Strain Energy, and Magnetic Susceptibility
	       of [4]Paracyclophane and the Activation Energy for Its
	       Interconversion with 1,4-Tetramethylene Dewar Benzene},
	JOURNAL = jacs ,
	VOLUME = 177 ,
	YEAR = 1995 ,
	PAGES = 8392 }

@ARTICLE{jamacdedyocpl233,
	AUTHOR = {J.~A.~Morales and A.~C.~Diz and E.~Deumens and
	          Y.~\"{O}hrn},
	KEY = {Molecular vibrational state distributions in
	       collisions},
	JOURNAL = cpl ,
	VOLUME = 233 ,
	YEAR = 1995 ,
	PAGES = 1995 }

@ARTICLE{gmppcpl241,
	AUTHOR = {G.~Magyarfalvi and P.~Pulay},
	KEY = {Chemical shift anisotropies in silicon containing
	       three-membered rings. An ab initio study},
	JOURNAL = cpl ,
	VOLUME = 241 ,
	YEAR = 1995 ,
	PAGES = 393 }

@ARTICLE{simvdopla202,
	AUTHOR = {S.~I.~Marmo and V.~D.~Ovsiannikov},
	KEY = {Electric field induced magnetization and inverse
	       Cotton-Mouton effect in atomic gases},
	JOURNAL = {Phys.~Lett.~ {\bf A}},
	VOLUME = 202 ,
	YEAR = 1995 ,
	PAGES = 201 }

@ARTICLE{eamahjcsft91,
	AUTHOR = {E.~A.~Moore and A.~Healy},
	KEY = {Ab initio Calculations of Titanium NMR CHemical Shifts
	       including the Use of Effective Core Potential Basis
	       Sets},
	JOURNAL = jcsft ,
	VOLUME = 91 ,
	YEAR = 1995 ,
	PAGES = 1735 }
	
@ARTICLE{gmijqc55,
	AUTHOR = {G.~Maroulis},
	KEY = {Evaluating the Performance of Correlated Methods in
	       Molecular Property Calculations: Pattern Recognition
	       and Clustering in SPaces of Theoretical Descriptions},
	JOURNAL = ijqc ,
	VOLUME = 55 ,
	YEAR = 1995 ,
	PAGES = 173 }

@ARTICLE{tvmjhvljcp102,
	AUTHOR = {T.~{\mbox van Mourik} and J.~H.~{\mbox van Lenthe}},
	KEY = {Benchmark full configuration interaction calculations
	       on the helium dimer},
	JOURNAL = jcp ,
	VOLUME = 102 ,
	YEAR = 1995 ,
	PAGES = 7479 }

@ARTICLE{admskcpthrbmjcltsaciee33,
	AUTHOR = {A.~{\mbox de Meijere} and S.~Kuzhoshkov and C.~Puls and
	          T.~Haumann and R.~Boese and M.~J.~Cooney and L.~T.~Scott},
	KEY =
{Hexaspiro[2.4.2.4.2.4.2.4.2.4.2.4]dotetraconta-4,6,11,13,18,20,25,27,32,34,39,41]-dodecayne
- An exploding [6]Rotane},
	JOURNAL = aciee ,
	VOLUME = 33 ,
	YERAR = 1995 ,
	PAGES = 869 }

@ARTICLE{bmmcjtjcp102,
	AUTHOR = {B.~Mennucci and M.~Cossi and J.~Tomasi},
	KEY = {A theoretical model of solvation in continuum
	       anisotropic dielectrics},
	JOURNAL = jcp ,
	VOLUME = 102 ,
	YEAR = 1995 ,
	PAGES = 6837 }

@ARTICLE{sacmrdanchcpl235,
	AUTHOR = {S.~A.~C.~McDowell and R.~D.~Amos and N.~C.~Handy},
	KEY = {Molecular polarisabilities - a comparison of density
	       functional theory with standard ab initio methods},
	JOURNAL = cpl ,
	VOLUME = 235 ,
	YEAR = 1995 ,
	PAGES = 1 }

@ARTICLE{ammmdjcc16,
	AUTHOR = {A.~M.~M\'{a}rquez and M.~Dupuis},
	KEY = {Parallel Computation of the MP2 Energy on Distributed
	       Memory Computers},
	JOURNAL = jcc ,
	YEAR = 1995 ,
	VOLUME = 16 ,
	PAGES = 395 }

@ARTICLE{ammkmmclcfmjpc99,
	AUTHOR = {A.~M.~Mebel and K.~Morokuma and M.~C.~Lin and
	          C.~F.~Melius},
	KEY = {Potential Energy Surface of the HNO + NO Reaction. An
	       ab initio Molecular Orbital Study},
	JOURNAL = jpc ,
	YEAR = 1995 ,
	VOLUME = 99 ,
	YEAR = 1995 }

@ARTICLE{kmmhmacsa42,
	AUTHOR = {{\mbox K.~-M.~}Marstokk and H.~M{\o}llendal},
	KEY = {Microwave Spectrum, Conformational Equilibria and
	       Intramolecular Hydrogen Bonding of 1-Amino-3-butene},
	JOURNAL = {Acta Chem.~Scand.~ {\bf A}},
	VOLUME = 42 ,
	YEAR = 1988 ,
	PAGES = 374 }

@ARTICLE{kmmhmacsa39-2,
	AUTHOR = {{\mbox K.~-M.~}Marstokk and H.~M{\o}llendal},
	KEY = {Microwave Spectrum, Conformational Equilibrium,
	       Intramolecular Hydrogen Bonding, Dipole Moments and
	       Centrifugal Distortion Constants of 3-butyn-2-ol},
	JOURNAL = {Acta Chem.~Scand.~ {\bf A}},
	VOLUME = 39 ,
	YEAR = 1985 ,
	PAGES = 639 }

@ARTICLE{kmmhmacsa39-1,
	AUTHOR = {{\mbox K.~-M.~}Marstokk and H.~M{\o}llendal},
	KEY = {Microwave Spectrum, Conformational Equilibria,
	       Intramolecular Hydrogen Bonding, Dipole Moment and
	       Centrifugal Distortion of 3-Hydroxypropanenitrile},
	JOURNAL = {Acta Chem.~Scand.~ {\bf A}},
	VOLUME = 39 ,
	YEAR = 1988 ,
	PAGES = 15 }

@ARTICLE{kmmhmacsa34,
	AUTHOR = {{\mbox K.~-M.~}Marstokk and H.~M{\o}llendal},
	KEY = {Microwave Spectrum, Conformational Equilibrium,
	       Intramolecular Hydrogen Bonding, Dipole Moments, 14N
	       Nuclear Quadrupole Coupling Constants and Centrifugal
	       Distortion Constants of 2-Fluoroethylamine},
	JOURNAL = {Acta Chem.~Scand.~ {\bf A}},
	VOLUME = 34 ,
	YEAR = 1980 ,
	PAGES = 15 }

@ARTICLE{kmmhmacsa36,
	AUTHOR = {{\mbox K.~-M.~}Marstokk and H.~M{\o}llendal},
	KEY = {Microwave Spectrum, Conformational Equilibria,
	       Intramolecular Hydrogen Bonding, Dipole Moments, 14N
	       Nuclear Quadrupole Coupling Constants and Centrifugal
	       Distortion Constants of 2,2-Difluoroethylamine},
	JOURNAL = {Acta Chem.~Scand.~ {\bf A}},
	VOLUME = 36 ,
	YEAR = 1992 ,
	PAGES = 517 }
	
@ARTICLE{kmmhmysasacs44,
	AUTHOR = {{\mbox K.~M.~} Marstokk and H.~M{\o}llendal and
	          Y.~Stenstr{\o}m and A.~Sveiczer},
	KEY = {Formation of erythro- and threo-1-Oxiranylethanol and
	       the Microwave Spectrum, Conformation and Dipole Moment
	       of its erythro Stereoisomer},
	JOURNAL = {Acta Chem.~Scand.} ,
	VOLUME = 44 ,
	YEAR = 1990 ,
	PAGES = 1006 }

@ARTICLE{kmmhmacs44,
	AUTHOR = {{\mbox K.~-M.~} Marstokk and H.~M\o llendal},
	KEY = {Microwave Spectrum, Conformational Composition and
	       Intramolecular Hydrogen Bonding of
	       3-(Methylamino)propanenitrile},
	JOURNAL = {Acta Chem.~Scand.},
	VOLUME = 44 ,
	YEAR = 1990 ,
	PAGES = 36 }
	
@ARTICLE{kmmhmssysacs46,
	AUTHOR = {{\mbox K.~-M.~}Marstokk and H.~M{\o}llendal and
	          S.~Samdal and Y.~Stenstr{\o}m},
	KEY = {The Synthesis of Pure threo-1-Oxiranylethanol, and its
	       Structure, Conformational Composition and
	       Intramolecular Hydrogen Bonding as Studied by
	       Microwave, Infrared and NMR Spectroscopy and Ab Initio
	       Computations},
	JOURNAL = {Acta Chem.~Scand.},
	VOLUME = 46 ,
	YEAR = 1992 ,
	PAGES = 325 }

@ARTICLE{kmmhmacs46,
	AUTHOR = {{\mbox K.~-M.~} Marstokk and H.~M{\o}llendal},
	KEY = {Microwave Spectrum, Intramolecular Hydrogen Bonding and
	       Conformational Equilibrium of
	       trans-2-Methylcyclopropanemethanol},
	JOURNAL = {Acta Chem.~Scand.},
	VOLUME = 46 ,
	YEAR = 1992 ,
	PAGES = 861 }

@ARTICLE{kmmhmacs46,
	AUTHOR = {{\mbox K.~-M.~} Marstokk and H.~M{\o}llendal},
	KEY = {Microwave Spectrum, Conformational Equilibrium and Ab
	       Initio Computations for Ethyl Glycolate},
	JOURNAL = {Acta Chem.~Scand.},
	VOLUME = 46 ,
	YEAR = 1992 ,
	PAGES = 1183 }

@ARTICLE{kmmhmysacs46,
	AUTHOR = {{\mbox K.~-M.~} Marstokk and H.~M{\o}llendal and
	          Y.~Stenstr{\o}m},
	KEY = {Microwave Spectrum of Oxiranemethanol (Glycidol), the
	       Assignment of a Second Hydrogen-Bonded Conformer and
	       Conformational Composition in the Gas Phase and in
	       Solution},
	JOURNAL = {Acta Chem.~Scand.},
	VOLUME = 46 ,
	YEAR = 1992 ,
	PAGES = 432 }

@ARTICLE{wlmfhdladcp22,
	AUTHOR = {W.~L.~Meerts and F.~H.~{\mbox De Leeuw} and A.~Dymanus},
	KEY = {Electric and magnetic properties of carbon monoxide by
	       molecular-beam electric-resonance spectroscopy},
	JOURNAL = cp ,
	VOLUME = 22 ,
	YEAR = 1977 ,
	PAGES = 319 }

@ARTICLE{wmplwhmp83,
	AUTHOR = {W.~Majer and P.~Lutzmann and W.~H\"{u}ttner},
	KEY = {The molecular electric quadrupole tensor of ethene from
	       rotational Zeeman effect of CH2CD2},
	JOURNAL = mp ,
	VOLUME = 83 ,
	YEAR = 1994 ,
	PAGES = 567 }

@ARTICLE{nhmijqcqcs28,
	AUTHOR = {N.~H.~March},
	KEY = {The Relationship between Magnetism and Electronic
	       Transport Properties in Strongly Correlated Electron
	       Liquids, Including High Tc Materials},
	JOURNAL = ijqcqcs ,
	VOLUME = 28 ,
	YEAR = 1994 ,
	PAGES = 421 }

@ARTICLE{jomjpc98,
	AUTHOR = {J.~O.~Morley},
	KEY = {Unusual enhancement of the Hyperpolarizability of a
	       Donor-Acceptor Styrene by an Additional Meta
	       Substituent},
	JOURNAL = jpc ,
	VOLUME = 98 ,
	YEAR = 1994 ,
	PAGES = 11818 }

@ARTICLE{aamjjajhbajbjcbbcwpdpbdpgecmmfwcpc84,
	AUTHOR = {A.~A.~Mirin and J.~J.~Ambrosiano and J.~H.~Bolstad and
	          A.~J.~Bourgeois and J.~C.~Brown and B.~Chan and
	          W.~P.~Dannevik and P.~B.~Duffy and P.~G.~Eltgroth and
	          C.~Matarazzo and M.~F.~Wehner},
	KEY = {Climate system modeling using a domain and task
	       decomposition message passing approach},
	JOURNAL = cpc ,	
	VOLUME = 84 ,
	YEAR = 1994 ,
	PAGES = 278 }
%Spesialutgave i hylla

@ARTICLE{mmkbcpc84,
	AUTHOR = {M.~M\"{u}ller and K.~Binder},
	KEY = {An algorithm for the semi-grand-canonical simulation of
	       asymmetric polymer mixtures},
	JOURNAL = cpc ,
	VOLUME = 84 ,
	YEAR = 1994 ,
	PAGES = 173 }
%Spesialutgave i hylla

@ARTICLE{fmpwswfgcpc84,
	AUTHOR = {F.~{\mbox M\"{u}ller-Plathe} and W.~Scott and
	          W.~F.~{\mbox van Gunsteren}},
	KEY = {PARALLACS: a benchmark for parallel molecular
	       dynamics},
	JOURNAL = cpc ,
	VOLUME = 84 ,
	YEAR = 1994 ,
	PAGES = 102 }
%Spesialutgave i hylla

@ARTICLE{mamcdglddsdlglmsdpapinc16,
	AUTHOR = {M.~A.~Macri and C.~{\mbox Del Gratta} and L.~{\mbox Di
	          Donato} and S.~{\mbox Di Luzio} and G.~L.~Romani and
	          S.~{\mbox Della Penna} and A.~Pasquarelli},
	KEY = {Biomagnetic Measurements Utilising a Superparamagnetic
	       Marker: a Feasibility Study},
	JOURNAL = {Il Nuove Cimento {\bf D}},
	VOLUME = 16 ,
	YEAR = 1994 ,
	PAGES = 425 }

@ARTICLE{rlmerddfecp38,
	AUTHOR = {R.~L.~Martin and E.~R.~Davidson and D.~F.~{\mbox Eggers
	          Jr.}},
	KEY = {Ab initio theory of the polarizability and
	       polarizability derivatives in H2S},
	JOURNAL = cp ,
	VOLUME = 38 ,
	YEAR = 1979 ,
	PAGES = 341 }

@Article{kjmjacs112,
  author = 	 {K.~J.~Miller},
  journal = 	 jacs,
  year = 	 {1990},
  key = 	 {Additivity Methods in Molecular Polarizability},
  volume = 	 {112},
  pages = 	 {8533}
}

@ARTICLE{whmnchjeajcp72,
	AUTHOR = {W.~H.~Miller and N.~C.~Handy and J.~E.~Adams},
	KEY = {Reaction path Hamiltonian for polyatomic molecules},
	JOURNAL = jcp ,
	VOLUME = 72 ,
	YEAR = 1980 ,
	PAGES = 99 }

@ARTICLE{gmmsglijqc19,
	AUTHOR = {G.~Maroulis and M.~Sana and G.~Leroy},
	KEY = {Molecular Properties and Basis Set Quality: An Approach
	       Based on Information Theory},
	JOURNAL = ijqc ,	
	VOLUME = 19 ,
	YEAR = 1981 ,
	PAGES = 43 }

@ARTICLE{mmgwgkmp82,
	AUTHOR = {M.~Mestechkin and G.~Whyman and G.~Klimko},
	KEY = {Molecular viewpoint on high-temperature
	       superconductivity. Importance of orbital degeneracy},
	JOURNAL = mp ,
	VOLUME = 82 ,
	YEAR = 1994 ,
	PAGES = 1079 }

@ARTICLE{fmjcp101,
	AUTHOR = {G.~Maroulis},
	KEY = {Accurate electric dipole and quadrupole moment, dipole
	       polarizability, and first and second dipole
	       hyperpolarizability of ozone from coupled cluster
	       calculations},
	JOURNAL = jcp ,
	VOLUME = 101 ,
	YEAR = 1994 ,
	PAGES = 4949 }

@ARTICLE{gmcpl226,
	AUTHOR = {G.~Maroulis},
	KEY = {Electric dipole hyperpolarizability and quadrupole
	       polarizability of methane from finite-field coupled
	       cluster and foutrh-order many-body perturbation theory
	       calculations},
	JOURNAL = cpl ,
	VOLUME = 226 ,
	YEAR = 1994 ,
	PAGES = 420 }

@ARTICLE{ijmisjmra109,
	AUTHOR = {I.~J.~McNaught and I.~Schaper},
	KEY = {A Direct Method for the Analysis of AA'BB' Spectra. 1.
	       Fully Automated Analysis},
	JOURNAL = jmra ,
	YEAR = 1994 ,
	VOLUME = 109 ,
	PAGES = 147 }

@ARTICLE{jmlmprtcpl225,
	AUTHOR = {J.~M.~L.~Martin and P.~R.~Taylor},
	KEY = {Basis set convergence for geometry and harmonic
	       frequencies. Are h functions enough?},
	JOURNAL = cpl ,
	VOLUME = 225 ,
	YEAR = 1994 ,
	PAGES = 473 }

@ARTICLE{admskcpthrbmjcltsaciee33,
	AUTHOR = {A.~de Meijere and S.~Kozhushkov and C.~Puls and
	          T.~Haumann and R.~Boese and M.~J.~Cooney and L.~T.~Scott},
	KEY =
{Hexaspiro[2.4.2.4.2.4.2.4.2.4.2.4]dotetraconta-4,6,11,13,18,20,25,27,32,34,39,41-dodecayne
- An exploding [6]Rotane},
	JOURNAL = aciee ,
	VOLUME = 33 ,
	YEAR = 1994 ,
	PAGES = 869 }

@ARTICLE{gmppcpl225,
	AUTHOR = {G.~Magyarfalvi and P.~Pulay},
	KEY = {Basis set and correlation effects in the calculation of
	       selenium NMR shieldings},
	JOURNAL = cpl ,
	VOLUME = 225 ,
	YEAR = 1994 ,
	PAGES = 280 }

@ARTICLE{vgmolmmecdrsjacs116,
	AUTHOR = {V.~G.~Malkin and O.~L.~Malkina and M.~E.~Casida and
	          D.~R.~Salahub},
	KEY = {Nuclear Magnetic Resonance Shielding Tensors Calculated
	       with a Sum-over-States Density Functional Perturbation
	       Theory},
	JOURNAL = jacs ,
	VOLUME = 116 ,
	YEAR = 1994 ,
	PAGES = 5898 }

@ARTICLE{gmhprhpaciee33,
	AUTHOR = {G.~Maier and H.~P.~Reisenauer and H.~Pacl},
	KEY = {C2H2Si Isomers: Generation by Pulsed Flash Pyrolysis
	       and Matrix-Spectroscopic Identification},
	JOURNAL = aciee ,
	VOLUME = 33 ,
	YEAR = 1994 ,
	PAGES = 1248 }

@ARTICLE{kvmhahjajthjcp89,
	AUTHOR = {K.~V.~Mikkelsen and H.~{\AA}gren and H.~J.~Aa.~Jensen and
	          T.~Helgaker},
	KEY = {A multiconfigurational self-consistent reaction-field
	       method},
	JOURNAL = jcp ,
	VOLUME = 89 ,
	YEAR = 1988 ,
	PAGES = 3086 }

@ARTICLE{kvmylhapjjcp100,
	AUTHOR = {K.~V.~Mikkelsen and Y.~Luo and H.~{\AA}gren and
	          P.~J{\o}rgensen},
	KEY = {Solvent induced polarizabilities and
	       hyperpolarizabilities of para-nitroaniline studied by
	       reaction field linear response theory},
	JOURNAL = jcp ,
	VOLUME = 100 ,
	YEAR = 1994 ,
	PAGES = 8240 }

@ARTICLE{kvmpjhjajjcp100,
	AUTHOR = {K.~V.~Mikkelsen and P.~J{\o}rgensen and H.~J.~Aa.~Jensen},
	KEY = {A multiconfigurational self-consistent reaction field
	       response method},
	JOURNAL = jcp ,
	VOLUME = 100 ,
	YEAR = 1994 ,
	PAGES = 6597 }

@ARTICLE{vgmolmdrscpl221,
	AUTHOR = {V.~G.~Malkin and O.~L.~Malkina and D.~R.~Salahub},
	KEY = {Calculation of spin-spin coupling constants using
	       density functional theory},
	JOURNAL = cpl ,
	VOLUME = 221 ,
	YEAR = 1994 ,
	PAGES = 91 }

@ARTICLE{nmdadjpc98,
	AUTHOR = {N.~Matsuzawa and D.~A.~Dixon},
	KEY = {Density Functional Theory Predictions of
	       Polarizabilities and First- and Second-Order
	       Hyperpolarizabilities for Molecular Systems},
	JOURNAL = jpc ,
	VOLUME = 98 ,
	YEAR = 1994 ,
	PAGES = 1994 }

@ARTICLE{mjmcmr6,
	AUTHOR = {M.~J.~Minch},
	KEY = {Orientational Dependence of Vicinal Proton-Proton NMR
	       Coupling Constants: The Karplus Relationship},
	JOURNAL = cmr ,
	VOLUME = 6 ,
	YEAR = 1994 ,
	PAGES = 41 }

@ARTICLE{gmajtcpl156,
	AUTHOR = {G.~Maroulis and A.~J.~Thakkar},
	KEY = {Hyperpolarizabilities and polarizabilities of neon:
	       Discrepancy between theory and experiment},
	JOURNAL = cpl ,
	VOLUME = 156 ,
	YEAR = 1989 ,
	PAGES = 87 }

@ARTICLE{rmmijqc49,
	AUTHOR = {R.~M.~Minyaev},
	KEY = {Reaction Path as a Gradient Line on a Potential Energy
	       Surface},
	JOURNAL = ijqc ,
	VOLUME = 49 ,
	YEAR = 1994 ,	
	PAGES = 105 }

@ARTICLE{jmstnmr2,
	AUTHOR = {J.~Mason},
	KEY = {Conventions for the reporting of nuclear magnetic shielding (or
               shift) tensors suggested by participants in the NATO ARW on
               NMR Shielding Constants at the University of Maryland, College
               Park, July 1992},
	JOURNAL = {Solid State Nuc.~Magn.~Reson.},
	VOLUME = 2 ,
	YEAR = 1993 ,
	PAGES = 285 }

@ARTICLE{jmlmtjljcp98,
	AUTHOR = {J.~M.~L.~Martin and T.~J.~Lee},
	KEY = {The protonation of N2O reexamined: A case study on the 
               reliability of various electron correlation methods for minima 
               and transition states},
	JOURNAL = jcp ,
	VOLUME = 98 ,
	YEAR = 1993 ,
	PAGES = 7951 }

@ARTICLE{cwmnchrdajcp98,
	AUTHOR = {C.~W.~Murray and N.~C.~Handy and R.~D.~Amos},
	KEY = {A study of O3, S3, CH2, and Be2 using Kohn-Sham theory with
               accurate quadrature and large basis sets},
	JOURNAL = jcp ,
	VOLUME = 98 ,
	YEAR = 1993 ,
	PAGES = 7145 }

@ARTICLE{cmzldbcpl208,
	AUTHOR = {C.~Mijoule and Z.~Latajka and D.~Borgis},
	KEY = {Density functional theory applied to proton-transfer systems. A
               numerical test},
	JOURNAL = cpl ,
	VOLUME = 208 ,
	YEAR = 1993 ,
	PAGES = 364 }

@ARTICLE{pgmjmc14,
	AUTHOR = {P.~G.~Mezey},
	KEY = {New rules on potential surface topology and critical point 
               search},
	JOURNAL = jmc ,
	VOLUME = 14 ,
	YEAR = 1993 ,
	PAGES = 79 }

@ARTICLE{jmmrjbzsjpc97,
	AUTHOR = {J.~M.~Martell and R.~J.~Boyd and Z.~Shi},
	KEY = {Effects of Electron Correlation on the Series C2HnF6-n (n=0-6):
               Geometries, Total Energies, and C-C and C-H Bond Dissociation
               Energies},
	JOURNAL = jpc ,
	VOLUME = 97 ,
	YEAR = 1993 ,
	PAGES = 7208 }

@ARTICLE{rmijqc7,
	AUTHOR = {R.~Moccia},
	KEY = {Time-Dependent Variational Principle},
	JOURNAL = ijqc ,
	VOLUME = 7 ,
	YEAR = 1973 ,
	PAGES = 779 }

@ARTICLE{rmcpl5-1,
	AUTHOR = {R.~Moccia},
	KEY = {Variable bases in SCF MO Calculations},
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%OK

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%Kommentar: Er stiftet sammen med artikkelen over
%OK

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%Oppbevaring: Trygve Helgaker

%N-bokstav:

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%O-bokstav:

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%P-bokstav:

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				%
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%Spesialutgave i hylla

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%Q-bokstav:

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%Oppbevaring: Trygve Helgaker

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%S-bokstav:

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	KEY = {Numerical multiconfigurational Hartree-Fock
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	VOLUME = 102 ,
	YEAR = 1995 ,
	PAGES = 4895 }

@ARTICLE{wsjvzna28,
	AUTHOR = {W.~S\"{a}nger and J.~Voitl\"{a}nder},
	KEY = {Calculation of the NMR Coupling Constant in HD by Using
	       a Nonsingular Contact Operator},
	JOURNAL = zna ,
	VOLUME = 28 ,
	YEAR = 1973 ,
	PAGES = 1866 }

@ARTICLE{vsppaekjpjcp104,
	AUTHOR = {V.~\v{S}pirko and P.~Piecuch and A.~E.~Kondo and
	          J.~Paldus},
	KEY = {Molecular quadrupole moment functions of HF and
	       N2. II. Rovibrational effects},
	JOURNAL = jcp ,
	YEAR = 1996 ,
	PAGES = 4716 ,
	VOLUME = 104 }

@ARTICLE{dshupjcsft92,
	AUTHOR = {D.~Shen and H.~O.~Pritchard},
	KEY = {Sensitivity of molecular dynamics unimolecular rate
	       calculations to defects in the potential-energy
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	VOLUME = 92 ,
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	PAGES = 1297 }

@ARTICLE{jsrjgbhsdwcpl252,
	AUTHOR = {J.~\v{S}epa and R.~J.~Gorte and B.~H.~Suits and D.~White},
	KEY = {13C chemical shielding anisotropy in the solid phases
	       of CH313CN},
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	VOLUME = 252 ,
	YEAR = 1996 ,
	PAGES = 281 }

@ARTICLE{hmshfswkhpljacs118,
	AUTHOR = {H.~M.~Sulzbach and H.~F.~{\mbox Schaefer III} and
	          W.~Klopper and H.~P.~L\"{u}thi},
	KEY = {Exploring the Boundary between Aromatic and Olefinic
	       Character: Bad News for Second-Order Perturbation
	       Theory and Density Functional Schemes},
	JOURNAL = jacs ,
	VOLUME = 118 ,
	YEAR = 1996 ,
	PAGES = 3519 }

@ARTICLE{asttmadgfalcdsbiljzjacs118,
	AUTHOR = {A.~Sastre and T.~Torres and M.~A.~{\mbox
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	          and I.~Ledoux and J.~Zyss},
	KEY = {Subphtalocyanines: Novel Targets for Remarkable
	       Second-Order Optical Nonlinearities},
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	VOLUME = 118 ,
	YEAR = 1996 ,
	PAGES = 2746 }

@ARTICLE{pvrshjhmshfsjacs118,
	AUTHOR = {P.~v.~R.~Schleyer and H.~Jiao and H.~M.~Sulzbach and
	          H.~F.~{\mbox Schaefer III}},
	KEY = {Highly Aromatic Planar all-cis-[10]Annulene
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	YEAR = 1996 ,
	PAGES = 2093 }

@ARTICLE{spasipcp201,
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	JOURNAL = cp ,
	VOLUME = 201 ,
	YEAR = 1995 ,
	PAGES = 405 }

@ARTICLE{tswgsjcp32-1,
	AUTHOR = {T.~Schaefer and W.~G.~Schneider},
	KEY = {On the Nature of Solvent Effects in the Proton
	       Resonance Spectra of Unsaturated Ring
	       Compounds. I. Substituted Benzenes},
	JOURNAL = jcp ,
	VOLUME = 32 ,
	PAGES = 1218 ,
	YEAR = 1960 }

@ARTICLE{tswgsjcp32-2,
	AUTHOR = {T.~Schaefer and W.~G.~Schneider},
	KEY = {On the Nature of Solvent Effects in the Proton
	       Resonance Spectra of Unsaturated Ring
	       Compounds. II. Heterocyclic Compounds},
	JOURNAL = jcp ,
	VOLUME = 32 ,
	PAGES = 1224 ,
	YEAR = 1960 }

@ARTICLE{btsjmstc341,
	AUTHOR = {B.~T.~Sutcliffe},
	KEY = {The idea of a potential energy surface},
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	VOLUME = 341 ,
	YEAR = 1995 ,
	PAGES = 1995 }

@ARTICLE{dsjgracpl243,
	AUTHOR = {D.~Sundholm and J.~Gauss and R.~Ahlrichs},
	KEY = {The electron correlation contribution to the nuclear
	       magnetic shielding tensor of the hydrogen molecule},
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	VOLUME = 243 ,
	YEAR = 1995 ,
	PAGES = 264 }

@ARTICLE{asjcfwjhdmgjacs117,
	AUTHOR = {A.~Soderquist and J.~C.~Facelli and W.~J.~Horton and
	          D.~M.~Grant},
	KEY = {Low-Temprature 13C Magnetic Resonance. 9. Steric
	       Effects for Methyl Chemical Shift Tensors in
	       Methylcyclohexanes},
	JOURNAL = jacs ,
	VOLUME = 117 ,
	YEAR = 1995 ,
	PAGES = 8441 }
	
@ARTICLE{kjsdcjoc60,
	AUTHOR = {K.~J.~Szabo and D.~Cremer},
	KEY = {Route to a Kinetically Stabilized Protonated
	Spirocyclopentane with a Pentacoordinated Carbon Atom. The
	Missing Link between Bicyclo[3.2.0]hept-3-yl and 7-Norbornyl
	Cation},
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	VOLUME = 60 ,
	YEAR = 1995 ,
	PAGES = 2257 }

@ARTICLE{pgsmnrjbjcp103,
	AUTHOR = {P.~G.~Szalay and M.~Nooijen and R.~J.~Bartlett},
	KEY = {Alternative ans\"{a}tze in single reference
	       coupled-cluster theory. III. A critical analysis of
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	VOLUME = 103 ,
	YEAR = 1995 ,
	PAGES = 281 }

@ARTICLE{jasjmwugjddsasmekjsgwhkjafjeswrbdntrjcscc1995,
	AUTHOR = {J.~A.~Schlueter and J.~M.~Williams and U.~Geiser and
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	          J.~S.~Gregar and W.~H.~Kwok and J.~A.~Fendrich and
	          J.~E.~Schirber and W.~R.~Bayless and D.~Naumann and
	          T.~Roy},
	KEY = {Synthesis and Characterization of Two New Organic
	       Superconductors, KL- and
KH-[Bis(ethylenedisulfanyl)tetrathiafulvalene]2Au(CF3)4.(1,1,2-Trichloroethane)
	       via Microelectrocrystallization},
	JOURNAL = jcscc ,
	VOLUME = {} ,
	YEAR = 1995 ,
	PAGES = 1311 }

@ARTICLE{jfsjgtca91,
	AUTHOR = {J.~F.~Stanton and J.~Gauss},
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	VOLUME = 91 ,
	YEAR = 1995 ,
	PAGES = 267 }

@ARTICLE{ysrmimaijcscc1995,
	AUTHOR = {U.~Sugihara and R.~Miyatake and I.~Murata and
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	KEY = {5-Methyl-1-phenylpyrrolo[2,4-d]borepin: a Polarized
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	VOLUME = {},
	YEAR = 1995 ,
	PAGES = 1249 }

@ARTICLE{gsijqc55,
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	YEAR = 1995 ,
	PAGES = 165 }

@ARTICLE{absrmslbgtfwjrkgorjgrckjacs117,
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	          R.~J.~Goldschmidt and R.~C.~King},
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	VOLUME = 117 ,
	YEAR = 1995 ,
	PAGES = 5492 }

@ARTICLE{dlsgesjcp102,
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	KEY = {A quantitative study of the scaling properties of the
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	YEAR = 1995 ,
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@ARTICLE{twsjce72,
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@ARTICLE{awsacr28,
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@ARTICLE{mwskkbjabstemsgjhjsknmkansstlwmdjamjcc14,
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@ARTICLE{zsnbebwkmmhmjacs107,
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@ARTICLE{mshnjcp102,
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@Article{gstzijqc60,
  author = 	 {G.~Schreckenbach and T.~Ziegler},
  journal = 	 ijqc,
  year = 	 {1996},
  key = 	 {The Calculation of NMR Shielding Tensors Based on
                  Density Functional Theory and the Frozen Core
                  Approximation}, 
  volume = 	 {60},
  pages = 	 {753}
}
%jeg har ingen kopi av denne, men finnes i Georgs avhandling

@Article{gstztca99,
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  year = 	 {1998},
  key = 	 {Density functional calculations of NMR chemical
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  volume = 	 {99},
  pages = 	 {71}
}

@ARTICLE{gstzjpc99,
	AUTHOR = {G.~Schreckenbach and T.~Ziegler},
	KEY = {Calculation of NMR Shielding Tensors Using
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@ARTICLE{spasjojgmp76,
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@ARTICLE{pfslaajdtmgbmhfsjpc98,
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@ARTICLE{nssplkdmcpc84,
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%Spesialutgave i hylla

@ARTICLE{osjvcpc84,
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%Spesialutgave i hylla

@ARTICLE{vrscffrdcrcpc84,
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	KEY = {On the electrostatic potential in linear periodic
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	JOURNAL = cpc ,
	VOLUME = 84 ,
	YEAR = 1994 ,
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%Spesialutgave i hylla

@ARTICLE{enstshmp56,
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@ARTICLE{pjsfjdcfcmjfjpc98,
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@ARTICLE{ensjojcp71,
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@ARTICLE{vshjajpjcp144,
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@ARTICLE{tsaswhhsznb49,
	AUTHOR = {Th.~Schlosser and A.~Sladek and W.~Hiller and
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	KEY = {Neue mono- und spirobicyclische Aminosilane: Synthese,
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@ARTICLE{jssaciee33,
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	KEY = {Mills-Nixon Effect: Wherefore Art Thou?},
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@ARTICLE{spasjfojpc98,
	AUTHOR = {S.~P.~A.~Sauer and J.~F.~Ogilvie},
	KEY = {Experimental and Theoretical Estimates of the
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	VOLUME = 98 ,
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@ARTICLE{jsfjgedplmmrzalefmmp82,
	AUTHOR = {J.~S.~-Fabian and J.~Guilleme and E.~Diez and P.~Lazzeretti and
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	       of individual substituents with second-row
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	VOLUME = 82 , 
	YEAR = 1994 ,
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@ARTICLE{usracpl226,
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	KEY = {Bis)n5-dicarbollide)aluminium: Ab initio investigation
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	YEAR = 1994 ,
	VOLUME = 226 ,
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@ARTICLE{wsaciee33,
	AUTHOR = {W.~Sander},
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	VOLUME = 33 ,
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@ARTICLE{hsrjbcpl225,
	AUTHOR = {H.~Sekino and R.~J.~Bartlett},
	KEY = {Nuclear coupling constants obtained by the
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	PAGES = 486 }

@ARTICLE{pjscfcfjdkjjcpl225,
	AUTHOR = {P.~J.~Stephens and C.~F.~Chabalowski and F.~J.~Devlin and
	          K.~J.~Jalkanen},
	KEY = {Ab initio calculation of vibrational circular dichroism
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	VOLUME = 225 ,
	YEAR = 1994 ,
	PAGES = 247 }

@ARTICLE{spasipjotca88,
	AUTHOR = {S.~P.~A.~Sauer and I.~Paidarov\'{a} and J.~Oddershede},
	KEY = {Correlated and gauge origin independent calculations of
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@ARTICLE{bsrgbbmp82,
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@ARTICLE{ksehmnayktbcsj67,
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	KEY = {A 1H and 13C NMR Study of Some A3A'3 Spin Molecules
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@ARTICLE{spasvsipjocp184,
	AUTHOR = {S.~P.~A.~Sauer and V.~\v{S}pirko and I.~Paidarov\'{a} and
	          J.~Oddershede},
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@ARTICLE{spastejojcp98,
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@ARTICLE{hmspvrshfsjacs116,
	AUTHOR = {H.~M.~Sulzbach and P.~v.~R.~Schleyer and
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@ARTICLE{jfspra49,
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@ARTICLE{nmsndswtrjcscc1994,
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@ARTICLE{asajp62,
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@ARTICLE{pasrjhjpojacs96,
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@ARTICLE{spasipjomp81,
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@ARTICLE{rvskmmjcp100,
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@ARTICLE{jsdhszna46,
	AUTHOR = {J.~Spiekermann and D.~H.~Sutter},
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	       Distribution , Molecular Electric Quadrupole Moment,
	       and 14N Nuclear Quadrupole Coupling of Nitroethylene,
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@ARTICLE{pvrsjgmbrgmafjcscc1993,
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 	          R.~Greatrex and M.~A.~Fox},
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@ARTICLE{hpsebstpsjcics33,
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@ARTICLE{rlswhfjcp51,
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@ARTICLE{tsjmr20,
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%OK

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%Oppbevaring:Trygve Helgaker 

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%OK

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%Oppbevaring: Trygve Helgaker

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%T-bokstav:

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%Spesialutgave i hylla

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%U-bokstav:

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%V-bokstav/W-bokstav:

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@ARTICLE{cvwwkcpl205,
	AUTHOR = {Ch.~{\mbox van W\"{u}llen} and W.~Kutzelnigg},
	KEY = {The MC-IGLO method},
	JOURNAL = cpl ,
	VOLUME = 205 ,
	YEAR = 1993 ,
	PAGES = 563 }

@ARTICLE{powpambortca77,
	AUTHOR = {{\mbox P.-O}.~Widmark and {\mbox
                  P.-{\AA}}.~Malmqvist and B.~O.~Roos}, 
	KEY = {Density matrix averaged atomic natural orbital (ANO) basis sets
               for correlated molecular wave functions},
	JOURNAL = tca ,
	VOLUME = 77 ,
	YEAR = 1990 ,
	PAGES = 291 }

@ARTICLE{ovhapjhjajsbpthjcp96,
	AUTHOR = {O.~Vahtras and H.~{\AA}gren and P.~J{\o}rgensen and H.~J.~Aa.~Jensen
                  and S.~B.~Padkj{\ae}r and T.~Helgaker},
	KEY = {Indirect nuclear spin-spin coupling constants from
               multiconfigurational linear response theory},
	JOURNAL = jcp ,
	VOLUME = 96 ,
	YEAR = 1992 ,
	PAGES = 6120 }

@ARTICLE{ovhapjhjajthjojcp96,
	AUTHOR = {O.~Vahtras and H.~{\AA}gren and P.~J{\o}rgensen and H.~J.~Aa.~Jensen
                  and T.~Helgaker and J.~Olsen},
	KEY = {Spin-orbit coupling constants in a multiconfigurational linear
               response approach},
	JOURNAL = jcp ,
	VOLUME = 96 ,
	YEAR = 1992 ,
	PAGES = 2118 }

@ARTICLE{svthfjhhplijqc45,
	AUTHOR = {S.~Vogel and T.~H.~Fischer and H.~H\"{u}tter and H.~P.~L\"{u}thi},
	KEY = {Third-order Methods for Molecular Geometry Optimizations},
	JOURNAL = ijqc,
	VOLUME = 45 ,
	YEAR = 1993 ,
	PAGES = 679 }

@ARTICLE{gwvacwabjacs115,
	AUTHOR = {G.~W.~Vuister and A.~C.~Wang and A.~Bax},
	KEY = {Measurement of Three-Bond Nitrogen-Carbon J Couplings in 
               Proteins Uniformly Enriched in 15N and 13C}, 
	JOURNAL = jacs ,
	VOLUME = 115 ,
	YEAR = 1993 ,
	PAGES = 5334 }

@ARTICLE{rewccjofcjc62,
	AUTHOR = {R.~E.~Wasylishen and C.~Connor and J.~O.~Friedrich},
	KEY = {An approximate absolute 33S nuclear magnetic shielding scale},
	JOURNAL = cjc ,
	VOLUME = 62 ,
	YEAR = 1984 ,
	PAGES = 981 }

@ARTICLE{dewthdjcp98,
	AUTHOR = {D.~E.~Woon and T.~H.~{\mbox Dunning Jr.}},
	KEY = {Gaussian basis sets for use in correlated molecular 
               calculations. III. The atoms aluminium through argon},
	JOURNAL = jcp ,
	VOLUME = 98 ,
	YEAR = 1993 ,
	PAGES = 1358 }

@ARTICLE{ovjamwfcpl213,
	AUTHOR = {O.~Vahtras and J.~Alml\"{o}f and M.~W.~Feyereisen},
	KEY = {Integral approximations for LCAO-SCF calculations},
	JOURNAL = cpl ,
	VOLUME = 213 ,
	YEAR = 1993 ,
	PAGES = 514 }

@Article{rewcjc65,
  author = 	 {R.~E.~Wasylishen},
  journal = 	 cjc,
  year = 	 {1987},
  key = 	 {A nuclear magnetic resonance relaxation study of
                  liquid hydrogen cyanide},
  volume = 	 {65},
  pages = 	 {2077}
}

@ARTICLE{rewsmjbmjcp81,
	AUTHOR = {R.~E.~Wasylishen and S.~Mooibroek and J.~B.~Macdonald},
	KEY = {A more reliable oxygen-17 absolute chemical shielding scale},
	JOURNAL = jcp ,
	VOLUME = 81 ,
	YEAR = 1984 ,
	PAGES = 1057 }

%X-bokstav

@Article{bxsjwwmwjlmjacs120,
  author = 	 {B.~Xia and S.~J.~Wilkens and W.~M.~Westler and
                  J.~L.~Markley}, 
  journal = 	 jacs,
  year = 	 {1998},
  key = 	 {Amplification of One-Bond 1H/2H Isotope Effects on
                  15N Chemical Shifts in Clostridium pasteurianum
                  Rubredoxin by Fermi-Contact Effects through Hydrogen
                  Bonds},
  volume = 	 {120},
  pages = 	 {4893}
}

@ARTICLE{ssxthdjcp99,
	AUTHOR = {S.~S.~Xantheas and T.~H.~{\mbox Dunning Jr.}},
	KEY = {Ab initio studies of cyclic water clusters (H2O)n,
	n=1-6. I. Optimal structures and vibrational spectra},
	JOURNAL = jcp ,
	VOLUME = 99 ,
	YEAR = 1993 ,
	PAGES = 8774 }

@ARTICLE{lyxrwbddjacs118,
	AUTHOR = {L.~Y.~Xie and R.~W.~Boyle and D.~Dolphin},
	KEY = {Porphocyanines: Expanded Aromatic Tetrapyrrolic
	       Macrocycles},
	JOURNAL = jacs ,
	VOLUME = 118 ,
	YEAR = 1996 ,
	PAGES = 4853 }

%Z-bokstav

@Article{whzrlprl77,
  author = 	 {W.~H.~Zurek and R.~Laflamme},
  journal = 	 prl,
  year = 	 {1996},
  key = 	 {Quantum Logical Operations on Encoded Qubits},
  volume = 	 {77},
  pages = 	 {4683}
}

@Article{jzsbvrtgrdjcp109,
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  year = 	 {1998},
  key = 	 {Octupolar versus dipolar crystalline structures for
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  pages = 	 {658}
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@Article{zzdwpyylpwdzol17,
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}

@Article{cgzjwcpl279,
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  key = 	 {Generalized semiempirical relationship for
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  volume = 	 {279},
  pages = 	 {35}
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@Article{rzplpwfcpl278,
  author = 	 {R.~Zanasi and P.~Lazzeretti and P.~W.~Fowler},
  journal = 	 cpl,
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  key = 	 {Magnetic properties of C60 calculated by continuous
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  volume = 	 {278},
  pages = 	 {251}
}

@Article{yzmfpra35,
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  key = 	 {Magnetic susceptibility for Ne derived from
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@Article{hzaciee36,
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  journal = 	 aciee,
  year = 	 {1997},
  key = 	 {Electron-Transer transition States: Bound or Unbound
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  pages = 	 {1697}
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@Article{rzswgwmp91,
  author = 	 {R.~Zawodny and S.~Wo\'{z}niak and G.~Wagni\'{e}re},
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  year = 	 {1997},
  key = 	 {On quadratic dc magnetic field-induced circular
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@ARTICLE{rzjcp105,
	AUTHOR = {R.~Zanasi},
	KEY = {Coupled Hartree-Fock calculations of molecular magnetic
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	JOURNAL = jcp ,
	VOLUME = 105 ,
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	PAGES = 1460 }

@ARTICLE{rzacr28,
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@ARTICLE{rzpwfcpl238,
	AUTHOR = {R.~Zanasi and P.~W.~Fowler},
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	VOLUME = 238 ,
	YEAR = 1995 ,
	PAGES = 270 }

@ARTICLE{rzplmmfpjcp102,
	AUTHOR = {R.~Zanasi and P.~Lazzeretti and M.~Malagoli and
	          F.~Piccinini},
	KEY = {Molecular magnetic properties within continuous
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	JOURNAL = jcp ,
	VOLUME = 102 ,
	YEAR = 1995 ,
	PAGES = 7150 }

@ARTICLE{zzjpoc8,
	AUTHOR = {Z.~Zhou},
	KEY = {Are kekulene, coronene, and corannulene tetraanion
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	JOURNAL = jpoc ,
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	YEAR = 1995 ,
	PAGES = 103 }

@ARTICLE{jszappeikcwmgcpjrs26,
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	VOLUME = 26 ,
	YEAR = 1995 ,
	PAGES = 9 }

@ARTICLE{ldzbhjpc88,
	AUTHOR = {L.~D.~Ziegler and B.~Hudson},
	KEY = {Resonance Rovibronic Raman Scattering of Ammonia},
	JOURNAL = jpc ,
	VOLUME = 88 ,
	YEAR = 1984 ,
	PAGES = 1110 }

@ARTICLE{rzphrbbahjgrjms313,
	AUTHOR = {R.~Zahradnik and P.~Hobza and R.~Burcl and B.~A.~{\mbox
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	KEY = {Strained unsaturated molecules. Theoretical study of
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	VOLUME = 313 ,
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@ARTICLE{jczhwpphdhca77,
	AUTHOR = {J.~-C.~Zhuo and H.~Wyler and P.~P\'{e}chy and H.~Dahn},
	KEY = {NMR of Terminal Oxygen. Part 14. Kinetically Stabilized
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	VOLUME = 77 ,
	YEAR = 1994 ,
	PAGES = 317 }

@ARTICLE{mzdpaacpl57,
	AUTHOR = {M.~\u{Z}aucer and D.~Pumpernik and A.~A\u{z}man},
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	PAGES = 338 }

@ARTICLE{mzdpmhaacpl48,
	AUTHOR = {M.~\u{Z}aucer and D.~Pumpernik and M.~Hladnik and A.~A\u{z}man},
	KEY = {Susceptibility and magnetic shieldings of the BH molecule},
	JOURNAL = cpl ,
	VOLUME = 48 ,
	YEAR = 1977 ,
	PAGES = 139 }

@ARTICLE{mzdpmhaacpl44,
	AUTHOR = {M.~\u{Z}aucer and D.~Pumpernik and M.~Hladnik and A.~A\u{z}man},
	KEY = {Ab initio calculation of magnetic shielding and susceptibility.
               Finite perturbation calculations of susceptibility with GIAO's},
	JOURNAL = cpl ,
	VOLUME = 44 ,
	YEAR = 1976 ,
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%Y-bokstav

@Article{ygybgpfmsglprl80,
  author = 	 {Y.-G.~Yoon and B.~G.~Pfrommer and F.~Mauri and
                  S.~G.~Louie}, 
  journal = 	 prl,
  year = 	 {1998},
  key = 	 {NMR Chemical Shifts in Hard Carbon Nitride Compounds},
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  pages = 	 {3388}
}

@Article{dryjpca100,
  author = 	 {D.~R.~Yarkony},
  journal = 	 jpca,
  year = 	 {1997},
  key = 	 {Energies and Derivative Couplings in the Vicinity of
                  a Conical Intersection Using Degenerate Perturbation
                  Theory and Analytic Gradient Techniques. 1},
  volume = 	 {101},
  pages = 	 {4263}
}

@Article{mymfpwfeckjcsft93,
  author = 	 {M.~Yoshida and M.~Fujita and P.~W.~Fowler and E.~C.~Kirby},
  journal = 	 jcsft,
  year = 	 {1997},
  key = 	 {Non-bonding orbitals in graphite, carbon tubules,
                  toroids and fullerenes},
  volume = 	 {93},
  pages = 	 {1037}
}

@ARTICLE{dryjpc100,
	AUTHOR = {D.~R.~Yarkony},
	KEY = {Current Issues in Nonadiabatic Chemistry},
	JOURNAL = jpc ,
	VOLUME = 100 ,
	YEAR = 1996 ,
	PAGES = 18612 }

@ARTICLE{nytvmarmjfhbscpl250,
	AUTHOR = {N.~Yamamoto and T.~Vreven and M.~A.~Robb and M.~J.~Frisch
	          and H.~B.~Schlegel},
	KEY = {A direct derivative MC-SCF procedure},
	JOURNAL = cpl ,
	VOLUME= 250 ,
	YEAR = 1996 ,
	PAGES = 373 }

@ARTICLE{syaciee34,
	AUTHOR = {S.~Yamada},
	KEY = {Relationship between C(O)-N Twist Angles and 17O NMR
	       Chemical Shifts in a Series of Twisted Amides},
	JOURNAL = aciee ,
	VOLUME = 34 ,
	YEAR = 1995 ,
	PAGES = 1113 }

@ARTICLE{myeojajcsft91,
	AUTHOR = {M.~Yoshida and E.~\bar{O}sawa and J.~Aihara},
	KEY = {Aromaticity and Superaromaticity in Carbon
	       Nanotoroids},
	JOURNAL = jcsft ,
	VOLUME = 91 ,
	YEAR = 1995 ,
	PAGES = 1563 }

@ARTICLE{symohnkycpl233,
	AUTHOR = {S.~Yamanaka and M.~Okumura and H.~Nagano and
	          K.~Yamaguchi},
	KEY = {CASSCF and CASPT2 calculations of hole-doped amines
	       with triplet carbene groups. Possibilities of high-Tc
	       organic ferrimagnets},
	JOURNAL = cpl ,
	VOLUME = 233 ,
	YEAR = 1995 ,
	PAGES = 88 }

@ARTICLE{lyrdracpl226,
	AUTHOR = {L.~Yang and R.~Dorsinville and R.~Alfano},
	KEY = {Nonlinear optical responses of C60-toluene solution},
	JOURNAL = cpl ,
	VOLUME = 226 ,
	YEAR = 1994 ,
	PAGES = 605 }

@ARTICLE{xywchncb109,
	AUTHOR = {X.~Yu and W.~C.~Henneberger},
	KEY = {Origin of the Darwin Term},
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	VOLUME = 109 ,
	YEAR = 1994 ,
	PAGES = 439 }

@ARTICLE{tyhwhsmhjpo7,
	AUTHOR = {T.~Yuzuri and H.~Wada and H.~Suezawa and M.~Hirota},
	KEY = {Anomalous polar substuituent effect on 15N NMR chemical
	       shifts of aniline derivatives. Acylanilides and related
	       compounds},
	JOURNAL = jpoc ,
	VOLUME = 7 ,
	YEAR = 1994 ,
	PAGES = 280 }

@ARTICLE{dyarjcp100,
	AUTHOR = {D.~Yang and A.~Rauk},
	KEY = {Vibrational circular dichroism intensities by ab initio
	       second-order M{\o}ller-Plesset vibronic coupling
	       theory},
	JOURNAL = jcp ,
	VOLUME = 100 ,
	YEAR = 1994 ,
	PAGES = 7995 }

@ARTICLE{dytehwargscjc71,
	AUTHOR = {D.~Yang and T.~Eggimann and H.~Wieser and A.~Rauk and
	          G.~Shustov},
	KEY = {Local and framework stereochemical markers in
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	       dimethylaziridines},
	JOURNAL = cjc ,
	VOLUME = 71 ,
	YEAR = 1993 ,
	PAGES = 2028 }

@ARTICLE{dyarcp178,
	AUTHOR = {D.~Yang and A.~Rauk},
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	VOLUME = 178 ,
	YEAR = 1993 ,
	PAGES = 147 }

@ARTICLE{dyarjcp97,
	AUTHOR = {D.~Yang and A.~Rauk},
	KEY = {Vibrational circular dichroism intensities: Ab initio vibronic
               coupling theory using the distributed origin gauge},
	JOURNAL = jcp ,
	VOLUME = 97 ,
	YEAR = 1992 ,
	PAGES = 6517 }

@ARTICLE{rycpl38,
	AUTHOR = {R.~Yaris},
	KEY = {On the choice of gauge for approximate quantum mechanical 
               wavefunctions},
	JOURNAL = cpl ,
	VOLUME = 38 ,
	YEAR = 1976 ,
	PAGES = 460 }

@ARTICLE{halyvclgmpcpl259,
	AUTHOR = {H.~{\AA}gren and L.~Yang and V.~Carravetta and
	L.~G.~M.~Petterson},
	KEY = {On the interpretation of the NEXAFS spectrum of
	molecular oxygen},
	JOURNAL = cpl ,
	VOLUME = 259 ,
	YEAR = 1996 ,
	PAGES = 21 }

%OK

@ARTICLE{aykttsbcsj65,
	AUTHOR = {A.~Yoshino and K.~Takahashi and T.~Sone},
	KEY = {13C NMR Study of Chloro- and Methylthiophenium Ions},
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	VOLUME = 65 ,
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@Article{habfmskjpc98,
  author = 	 {H.~{\AA}gren and B.~F.~Minaev and S.~Knuts},
  journal = 	 jpc,
  year = 	 {1994},
  key = 	 {Response Theory Studies of Triplet-State Spectra and
                  Radiative Lifetimes of Naphtalene, Quinoxaline and
                  Phtalazine}, 
  volume = 	 {98},
  pages = 	 {3943}
}

@ARTICLE{poakvmjcp104,
	AUTHOR = {{\mbox P.-O}.~{\AA}strand and K.~V.~Mikkelsen},
	KEY = {Calculation of nuclear shielding constants and
	       magnetizabilities of the hydrogen fluoride molecules},
	JOURNAL = jcp ,	
	VOLUME = 104 ,
	YEAR = 1996 ,
	PAGES = 648 }

%Bare-sitert:

@ARTICLE{ppacp19,
	AUTHOR = {P.~Pascal},
	JOURNAL = {Ann.~Chim.~Phys.},
	VOLUME = 19 ,
	YEAR = 1910 ,
	PAGES = 5 }

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@ARTICLE{ppfgsflcras252,
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	JOURNAL = {C.~R.~Acad.~Sci.},
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	YEAR = 1961 ,
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%Antagelig i bok-hylla

@INCOLLECTION{ppjfhkwtossell,
	AUTHOR = {P.~Pulay and J.~F.~Hinton and K.~Wolinski},
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	KEY = {Efficient Implementation of the GIAO Method for
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	BOOKTITLE = {Nuclear Magnetic Shieldings and Molecular
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	PUBLISHER = {NATO ASI series, Plenum},
	YEAR = 1993 }

@INCOLLECTION{ekugsknatoasi1993,
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	BOOKTITLE = {Relativistic and Electron Correlation Effects in
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	PUBLISHER = {NATO ASI series, Plenum},
	YEAR = 1993 }

@ARTICLE{rhcjcfarnmrs27,
	AUTHOR = {R.~H.~Contreras and J.~C.~Facelli},
	PAGES = 255 ,
	YEAR = 1993 ,
	JOURNAL = {Ann.~Rep.~NMR Spectrosc.},
	VOLUME = 27 }

@ARTICLE{brabjdamr7,
	AUTHOR = {B.~R.~Appleman and B.~P.~Dailey},
	PAGES = 231 ,
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@ARTICLE{landcacp85,
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@ARTICLE{tbflanacp85,
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@TECHREPORT{obffin906002,
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@TECHREPORT{ftepjkbajffir6007,	
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	INSTITUTION = {Norwegian Defence Research Establishment},
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@ARTICLE{saswepjtgcmr4-1,
	AUTHOR = {S.~A.~Smith and W.~E.~Palke and J.~T.~Gerig},
	KEY = {The Hamiltonians of NMR. Part I},
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	YEAR = 1992 ,
	PAGES = 107 }

@ARTICLE{saswepjtgcmr4-2,
	AUTHOR = {S.~A.~Smith and W.~E.~Palke and J.~T.~Gerig},
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	JOURNAL = cmr ,
	VOLUME = 4 ,
	YEAR = 1992 ,
	PAGES = 181 }

@ARTICLE{saswepjtgcmr5,
	AUTHOR = {S.~A.~Smith and W.~E.~Palke and J.~T.~Gerig},
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@ARTICLE{saswepjtgcmr6,
	AUTHOR = {S.~A.~Smith and W.~E.~Palke and J.~T.~Gerig},
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@ARTICLE{brabpdamr7,
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	PAGES = 231 }
